5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- structure

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-

TL;DR: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- (CAS 108376-15-4) is a chemical compound with molecular formula C27H25N7O8S3 and molecular weight 671.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-(2,3-dihydro-1H-indol-5-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-, (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-(2,3-dihydro-1H-indol-5-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 108376-15-4
Molecular Formula C27H25N7O8S3
Molecular Weight 671.09 g/mol
LogP 0.7999
Topological Polar Surface Area 229.21 Ų
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 13
Rotatable Bonds 9
Exact Mass 671.09265
Heavy Atoms 45
Complexity 1840.4237

Chemical Identifiers

CAS Number 108376-15-4
SMILES C1CNC2=C1C=C(C=C2)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)C(C5=CSC(=N5)N)NC(=O)C6=CC(=O)C(=CN6O)O)SC3)C(=O)O

Product Overview

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- (CAS 108376-15-4), with molecular formula C27H25N7O8S3 and molecular weight 671.09 g/mol. IUPAC: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-(2,3-dihydro-1H-indol-5-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

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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.
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Chemical Property Profile of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-

XLogP
0.7999
TPSA (Topological Polar Surface Area)
229.21
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
13
Rotatable Bonds
9
Heavy Atoms
45
Complexity
1840.4237
Exact Mass
671.09265
Monoisotopic Mass
671.09265
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 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-

The XLogP value of 0.7999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-. The TPSA of 229.21 Ų indicates high polarity, suggesting 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- has 7 hydrogen bond donor(s) and 13 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 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?

The CAS number of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- is 108376-15-4.

What is the molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?

The molecular formula of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- is C27H25N7O8S3.

What is the molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?

The molecular weight of 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- is 671.09 g/mol.

Where can I buy 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?

You can request a quote for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-?

Yes, KEHONG BIO provides custom synthesis services for 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)carbonyl)amino)acetyl)amino)-3-(((2,3-dihydro-1H-indol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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