![2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid structure](/static/products/884/884803-01-4.png)
2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid
TL;DR: 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid (CAS 884803-01-4) is a chemical compound with molecular formula C16H13NO5S and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-carboxyanilino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: A3917/0166641, 2-({2-[(4-carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid, 2-[2-(4-carboxyanilino)-2-oxoethyl]sulfanylbenzoic acid, 2-{[N-(4-carboxyphenyl)carbamoyl]methylthio}benzoic acid, 2-((2-((4-carboxyphenyl)amino)-2-oxoethyl)thio)benzoic acid
| Molecular Formula | C16H13NO5S |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 2.8138 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.05145 |
| Heavy Atoms | 23 |
| Complexity | 742.39075 |
Chemical Identifiers
| CAS Number | 884803-01-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=CC=C(C=C2)C(=O)O |
Product Overview
2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid (CAS 884803-01-4), with molecular formula C16H13NO5S and molecular weight 331.05 g/mol. IUPAC: 2-[2-(4-carboxyanilino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid
Property Insights of 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid
The XLogP value of 2.8138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid has 3 hydrogen bond donor(s) and 4 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 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid?
The CAS number of 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid is 884803-01-4.
What is the molecular formula of 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid?
The molecular formula of 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid is C16H13NO5S.
What is the molecular weight of 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid?
The molecular weight of 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid is 331.05 g/mol.
Where can I buy 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid?
You can request a quote for 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[(4-Carboxyphenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.