![4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid structure](/static/products/831/831232-31-6.png)
4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid
TL;DR: 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 831232-31-6) is a chemical compound with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid
Also Known As: 4,5-dimethoxy-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic Acid, 4,5-dimethoxy-2-(2-((4-nitrobenzyl)thio)acetamido)benzoic acid, 4,5-dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid
| Molecular Formula | C18H18N2O7S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 3.1821 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.08347 |
| Heavy Atoms | 28 |
| Complexity | 884.248 |
Chemical Identifiers
| CAS Number | 831232-31-6 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])OC |
Product Overview
4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid (CAS 831232-31-6), with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol. IUPAC: 4,5-dimethoxy-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid
Property Insights of 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid
The XLogP value of 3.1821 indicates that 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid has 2 hydrogen bond donor(s) and 7 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-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid?
The CAS number of 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid is 831232-31-6.
What is the molecular formula of 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular formula of 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid is C18H18N2O7S.
What is the molecular weight of 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid?
The molecular weight of 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid is 406.08 g/mol.
Where can I buy 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid?
You can request a quote for 4,5-Dimethoxy-2-({[(4-nitrobenzyl)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-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.