![4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid structure](/static/products/351/351005-97-5.png)
4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid
TL;DR: 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid (CAS 351005-97-5) is a chemical compound with molecular formula C15H13NO3S and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-phenylsulfanylacetyl)amino]benzoic acid
Also Known As: 4-{[(phenylsulfanyl)acetyl]amino}benzoic acid, 4-[(2-phenylsulfanylacetyl)amino]benzoic Acid, 4-{[(phenylthio)acetyl]amino}benzoic acid
| Molecular Formula | C15H13NO3S |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 3.1156 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.0616 |
| Heavy Atoms | 20 |
| Complexity | 596.2755 |
Chemical Identifiers
| CAS Number | 351005-97-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid (CAS 351005-97-5), with molecular formula C15H13NO3S and molecular weight 287.06 g/mol. IUPAC: 4-[(2-phenylsulfanylacetyl)amino]benzoic acid.
Chemical Property Profile of 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid
Property Insights of 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid
The XLogP value of 3.1156 indicates that 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 3 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 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid?
The CAS number of 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid is 351005-97-5.
What is the molecular formula of 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid?
The molecular formula of 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid is C15H13NO3S.
What is the molecular weight of 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid?
The molecular weight of 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid is 287.06 g/mol.
Where can I buy 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid?
You can request a quote for 4-{[(Phenylsulfanyl)acetyl]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 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(Phenylsulfanyl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.