methyl}amino)benzoic acid structure](/static/products/7152/7152-78-5.webp)
2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid
TL;DR: 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid (CAS 7152-78-5) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[carboxymethylsulfanyl(phenyl)methyl]amino]benzoic acid
Also Known As: 2-({[(carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid, 2-[[carboxymethylsulfanyl(phenyl)methyl]amino]benzoic acid, Androstan-17-one, 11-hydroxy-, (5, A,11, A)-
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 7152-78-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(NC2=CC=CC=C2C(=O)O)SCC(=O)O |
| InChIKey | SQHWCKCVJMCALY-UHFFFAOYSA-N |
Product Overview
2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid (CAS 7152-78-5), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: 2-[[carboxymethylsulfanyl(phenyl)methyl]amino]benzoic acid.
Chemical Property Profile of 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid
Property Insights of 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid
The XLogP value of 3.9 indicates that 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid has 3 hydrogen bond donor(s) and 6 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-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid?
The CAS number of 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid is 7152-78-5.
What is the molecular formula of 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid?
The molecular formula of 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid is C16H15NO4S.
What is the molecular weight of 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid?
The molecular weight of 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid is 317.07 g/mol.
Where can I buy 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid?
You can request a quote for 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)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-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(Carboxymethyl)sulfanyl](phenyl)methyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.