![2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid structure](/static/products/831/831199-01-0.png)
2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid
TL;DR: 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 831199-01-0) is a chemical compound with molecular formula C16H13Cl2NO3S and molecular weight 369.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid
Also Known As: 2-(2-((3,4-dichlorobenzyl)thio)acetamido)benzoic acid, 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoic Acid, 2-({[(3,4-dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid
| Molecular Formula | C16H13Cl2NO3S |
|---|---|
| Molecular Weight | 369.00 g/mol |
| LogP | 4.5635 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.99933 |
| Heavy Atoms | 23 |
| Complexity | 737.0153 |
Chemical Identifiers
| CAS Number | 831199-01-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC(=C(C=C2)Cl)Cl |
Product Overview
2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 831199-01-0), with molecular formula C16H13Cl2NO3S and molecular weight 369.00 g/mol. IUPAC: 2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid
Property Insights of 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid
The XLogP value of 4.5635 indicates that 2-({[(3,4-Dichlorobenzyl)sulfanyl]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 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({[(3,4-Dichlorobenzyl)sulfanyl]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 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid?
The CAS number of 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid is 831199-01-0.
What is the molecular formula of 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular formula of 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid is C16H13Cl2NO3S.
What is the molecular weight of 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular weight of 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid is 369.00 g/mol.
Where can I buy 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid?
You can request a quote for 2-({[(3,4-Dichlorobenzyl)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 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(3,4-Dichlorobenzyl)sulfanyl]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.