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-benzothiazolylthio)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-benzothiazolylthio)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-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- (CAS 108376-04-1) is a chemical compound with molecular formula C26H21N7O8S4 and molecular weight 687.03 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-(1,3-benzothiazol-2-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-benzothiazolylthio)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-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 108376-04-1
Molecular Formula C26H21N7O8S4
Molecular Weight 687.03 g/mol
LogP 1.4416
Topological Polar Surface Area 230.07 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 14
Rotatable Bonds 9
Exact Mass 687.03345
Heavy Atoms 45
Complexity 1938.2552

Chemical Identifiers

CAS Number 108376-04-1
SMILES C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CSC(=N3)N)NC(=O)C4=CC(=O)C(=CN4O)O)C(=O)O)CSC5=NC6=CC=CC=C6S5

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-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- (CAS 108376-04-1), with molecular formula C26H21N7O8S4 and molecular weight 687.03 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-(1,3-benzothiazol-2-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-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-

XLogP
1.4416
TPSA (Topological Polar Surface Area)
230.07
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
14
Rotatable Bonds
9
Heavy Atoms
45
Complexity
1938.2552
Exact Mass
687.03345
Monoisotopic Mass
687.03345
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-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-

The XLogP value of 1.4416 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-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))-. The TPSA of 230.07 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-benzothiazolylthio)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-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- has 6 hydrogen bond donor(s) and 14 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.
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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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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-benzothiazolylthio)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-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- is 108376-04-1.

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-benzothiazolylthio)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-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- is C26H21N7O8S4.

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-benzothiazolylthio)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-benzothiazolylthio)methyl)-8-oxo-, (6R-(6-alpha,7-beta))- is 687.03 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-benzothiazolylthio)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-benzothiazolylthio)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-benzothiazolylthio)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-benzothiazolylthio)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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