disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Name: disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Brand: 科弘生物
SKU: CAS:76718-43-9
Price: Contact for quote USD

TL;DR: disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 76718-43-9) is a chemical compound with molecular formula C37H33N11Na2O11S2 and molecular weight 917.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

disodium;(6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(carboxylatomethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Also Known As: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((2-(4-(((1-acetyl-4-hydroxy-2-pyrrolidinyl)carbonyl)amino)phenyl)-1,4-dihydro-4-oxo-5-pyrimidinyl)carbonyl)amino)phenylacetyl)amino)-3-(((1-(carboxymethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, disodium salt, (6R-(6-alpha,7-beta(R*(2S*<4R*))))-, disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS: 76718-43-9

Molecular Formula	`C37H33N11Na2O11S2`
Molecular Weight	917.16 g/mol
LogP	-9.2312
Topological Polar Surface Area	317.76 Å²
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	17
Rotatable Bonds	14
Exact Mass	917.1598
Heavy Atoms	63
Complexity	2527.3665

Chemical Identifiers

CAS Number	76718-43-9
SMILES	`CC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=CC=C(C=C2)C3=NC=C(C(=O)N3)C(=O)NC(C4=CC=CC=C4)C(=O)N[C@H]5[C@@H]6N(C5=O)C(=C(CS6)CSC7=NN=NN7CC(=O)[O-])C(=O)[O-])O.[Na+].[Na+]`

Product Overview

disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 76718-43-9), with molecular formula C37H33N11Na2O11S2 and molecular weight 917.16 g/mol. IUPAC: disodium;(6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(carboxylatomethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

View MSDS →

Chemical Property Profile of disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

XLogP

-9.2312

TPSA (Topological Polar Surface Area)

317.76

Hydrogen Bond Donors

Hydrogen Bond Acceptors

Rotatable Bonds

Heavy Atoms

Complexity

2527.3665

Exact Mass

917.1598

Monoisotopic Mass

917.1598

Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

The XLogP value of -9.2312 indicates that disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.76 Å² indicates high polarity, suggesting disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

Do you ship internationally?

Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

The CAS number of disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is 76718-43-9.

What is the molecular formula of disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

The molecular formula of disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is C37H33N11Na2O11S2.

What is the molecular weight of disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

The molecular weight of disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is 917.16 g/mol.

Where can I buy disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

You can request a quote for disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

Yes, KEHONG BIO provides custom synthesis services for disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Chemical Identifiers

Product Overview

Chemical Property Profile of disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Property Insights of disodium (6R,7R)-7-[[2-[[2-[4-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-phenylacetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

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Frequently Asked Questions

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