![2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid structure](/static/products/890/890988-95-1.png)
2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
TL;DR: 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 890988-95-1) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid
Also Known As: 2-methyl-3-({[(2-methylbenzyl)thio]acetyl}amino)benzoic acid, 2-methyl-3-(2-((2-methylbenzyl)thio)acetamido)benzoic acid, 2-methyl-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic Acid, 2-methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 3.87354 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 727.95667 |
Chemical Identifiers
| CAS Number | 890988-95-1 |
|---|---|
| SMILES | CC1=CC=CC=C1CSCC(=O)NC2=CC=CC(=C2C)C(=O)O |
Product Overview
2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 890988-95-1), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: 2-methyl-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
Property Insights of 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
The XLogP value of 3.87354 indicates that 2-Methyl-3-({[(2-methylbenzyl)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-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-Methyl-3-({[(2-methylbenzyl)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-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
The CAS number of 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is 890988-95-1.
What is the molecular formula of 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular formula of 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is C18H19NO3S.
What is the molecular weight of 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular weight of 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is 329.11 g/mol.
Where can I buy 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
You can request a quote for 2-Methyl-3-({[(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 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.