![5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid structure](/static/products/830/830351-96-7.png)
5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid
TL;DR: 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid (CAS 830351-96-7) is a chemical compound with molecular formula C17H14N2O7S and molecular weight 390.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-(2-((4-nitrobenzyl)thio)acetamido)isophthalic acid, 5-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylic Acid, 5-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid
| Molecular Formula | C17H14N2O7S |
|---|---|
| Molecular Weight | 390.05 g/mol |
| LogP | 2.8631 |
| Topological Polar Surface Area | 146.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.0522 |
| Heavy Atoms | 27 |
| Complexity | 864.40497 |
Chemical Identifiers
| CAS Number | 830351-96-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-] |
Product Overview
5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid (CAS 830351-96-7), with molecular formula C17H14N2O7S and molecular weight 390.05 g/mol. IUPAC: 5-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid
Property Insights of 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid
The XLogP value of 2.8631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid. The TPSA of 146.84 Ų indicates high polarity, suggesting 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid has 3 hydrogen bond donor(s) and 6 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-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid?
The CAS number of 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid is 830351-96-7.
What is the molecular formula of 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid?
The molecular formula of 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid is C17H14N2O7S.
What is the molecular weight of 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid?
The molecular weight of 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid is 390.05 g/mol.
Where can I buy 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid?
You can request a quote for 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-({[(4-Nitrobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.