![4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid structure](/static/products/839/839687-50-2.png)
4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
TL;DR: 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 839687-50-2) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid
Also Known As: 4,5-dimethoxy-2-(2-((2-methylbenzyl)thio)acetamido)benzoic acid, 4,5-dimethoxy-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic Acid, 4,5-dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 3.58232 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 806.51166 |
Chemical Identifiers
| CAS Number | 839687-50-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CSCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC |
Product Overview
4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 839687-50-2), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: 4,5-dimethoxy-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
Property Insights of 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid
The XLogP value of 3.58232 indicates that 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-({[(2-methylbenzyl)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 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
The CAS number of 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is 839687-50-2.
What is the molecular formula of 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular formula of 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is C19H21NO5S.
What is the molecular weight of 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular weight of 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid is 375.11 g/mol.
Where can I buy 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
You can request a quote for 4,5-Dimethoxy-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 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-({[(2-methylbenzyl)sulfanyl]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.