![2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid structure](/static/products/4045/404590-99-4.webp)
2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid
TL;DR: 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid (CAS 404590-99-4) is a chemical compound with molecular formula C18H18ClNO5S and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxybenzoic acid
Also Known As: 2-(2-((4-chlorobenzyl)thio)acetamido)-4,5-dimethoxybenzoic acid, 2-({[(4-chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid, 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxy-benzoic Acid, 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxybenzoic acid
| Molecular Formula | C18H18ClNO5S |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 3.9273 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.05942 |
| Heavy Atoms | 26 |
| Complexity | 794.91364 |
Chemical Identifiers
| CAS Number | 404590-99-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC=C(C=C2)Cl)OC |
Product Overview
2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid (CAS 404590-99-4), with molecular formula C18H18ClNO5S and molecular weight 395.06 g/mol. IUPAC: 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxybenzoic acid.
Chemical Property Profile of 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid
Property Insights of 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid
The XLogP value of 3.9273 indicates that 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic 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 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid. Following Lipinski's Rule of Five, 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic 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 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid?
The CAS number of 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid is 404590-99-4.
What is the molecular formula of 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid?
The molecular formula of 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid is C18H18ClNO5S.
What is the molecular weight of 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid?
The molecular weight of 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid is 395.06 g/mol.
Where can I buy 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid?
You can request a quote for 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(4-Chlorobenzyl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.