![2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid structure](/static/products/5407/540774-65-0.webp)
2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid
TL;DR: 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid (CAS 540774-65-0) is a chemical compound with molecular formula C15H12ClNO3S and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid, 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylbenzoic acid, AI-204/43489595, A3057/0129166, 2-{[N-(4-chlorophenyl)carbamoyl]methylthio}benzoic acid
| Molecular Formula | C15H12ClNO3S |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | 3.769 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.02264 |
| Heavy Atoms | 21 |
| Complexity | 658.2232 |
Chemical Identifiers
| CAS Number | 540774-65-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=CC=C(C=C2)Cl |
Product Overview
2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid (CAS 540774-65-0), with molecular formula C15H12ClNO3S and molecular weight 321.02 g/mol. IUPAC: 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid
Property Insights of 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid
The XLogP value of 3.769 indicates that 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}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 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}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 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid?
The CAS number of 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid is 540774-65-0.
What is the molecular formula of 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid is C15H12ClNO3S.
What is the molecular weight of 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid is 321.02 g/mol.
Where can I buy 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[2-(4-Chloroanilino)-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-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.