![5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid structure](/static/products/847/847469-40-3.png)
5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
TL;DR: 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 847469-40-3) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid
Also Known As: 5-hydroxy-2-(2-((2-methylbenzyl)thio)acetamido)benzoic acid, 5-hydroxy-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic Acid, 5-hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 3.27072 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 730.2833 |
Chemical Identifiers
| CAS Number | 847469-40-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)O)C(=O)O |
Product Overview
5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 847469-40-3), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: 5-hydroxy-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
Property Insights of 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
The XLogP value of 3.27072 indicates that 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid has 3 hydrogen bond donor(s) and 4 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 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
The CAS number of 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is 847469-40-3.
What is the molecular formula of 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular formula of 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is C17H17NO4S.
What is the molecular weight of 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular weight of 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is 331.09 g/mol.
Where can I buy 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
You can request a quote for 5-Hydroxy-2-({[(2-methylbenzyl)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 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.