![4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid structure](/static/products/831/831241-63-5.png)
4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid
TL;DR: 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 831241-63-5) is a chemical compound with molecular formula C16H13ClN2O5S and molecular weight 380.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-chloro-2-(2-((4-nitrobenzyl)thio)acetamido)benzoic acid, 4-chloro-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic Acid, 4-chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid
| Molecular Formula | C16H13ClN2O5S |
|---|---|
| Molecular Weight | 380.02 g/mol |
| LogP | 3.8183 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.02338 |
| Heavy Atoms | 25 |
| Complexity | 810.6724 |
Chemical Identifiers
| CAS Number | 831241-63-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)[N+](=O)[O-] |
Product Overview
4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 831241-63-5), with molecular formula C16H13ClN2O5S and molecular weight 380.02 g/mol. IUPAC: 4-chloro-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid
Property Insights of 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid
The XLogP value of 3.8183 indicates that 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid has 2 hydrogen bond donor(s) and 5 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-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid?
The CAS number of 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid is 831241-63-5.
What is the molecular formula of 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular formula of 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid is C16H13ClN2O5S.
What is the molecular weight of 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular weight of 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid is 380.02 g/mol.
Where can I buy 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid?
You can request a quote for 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]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-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.