7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid
TL;DR: 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid (CAS 87950-82-1) is a chemical compound with molecular formula C16H16ClN3O5S2 and molecular weight 429.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(3-chloro-4-hydroxyphenyl)acetyl)amino)-3-(methylthio)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-, (6R,7R)-7-[[2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-{[2-Amino-2-(3-chloro-4-hydroxyphenyl)-1-hydroxyethylidene]amino}-3-(methylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-{[2-Amino-2-(3-chloro-4-hydroxyphenyl)-1-hydroxyethylidene]amino}-3-(methylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C16H16ClN3O5S2 |
|---|---|
| Molecular Weight | 429.02 g/mol |
| LogP | 1.1045 |
| Topological Polar Surface Area | 132.96 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.022 |
| Heavy Atoms | 27 |
| Complexity | 862.4575 |
Chemical Identifiers
| CAS Number | 87950-82-1 |
|---|---|
| SMILES | CSC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC(=C(C=C3)O)Cl)N)SC1)C(=O)O |
Product Overview
7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid (CAS 87950-82-1), with molecular formula C16H16ClN3O5S2 and molecular weight 429.02 g/mol. IUPAC: (6R,7R)-7-[[2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid
Property Insights of 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid
The XLogP value of 1.1045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid. The TPSA of 132.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid. Following Lipinski's Rule of Five, 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid?
The CAS number of 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid is 87950-82-1.
What is the molecular formula of 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid?
The molecular formula of 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid is C16H16ClN3O5S2.
What is the molecular weight of 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid?
The molecular weight of 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid is 429.02 g/mol.
Where can I buy 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid?
You can request a quote for 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-(R-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methylthio-3-cephem-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.