![5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid structure](/static/products/5180/518007-46-0.webp)
5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid
TL;DR: 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid (CAS 518007-46-0) is a chemical compound with molecular formula C17H15NO5S and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-(2-(p-tolylthio)acetamido)isophthalic acid, 5-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylic Acid, 5-({[(4-methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid
| Molecular Formula | C17H15NO5S |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 3.12222 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.0671 |
| Heavy Atoms | 24 |
| Complexity | 753.81793 |
Chemical Identifiers
| CAS Number | 518007-46-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
Product Overview
5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid (CAS 518007-46-0), with molecular formula C17H15NO5S and molecular weight 345.07 g/mol. IUPAC: 5-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid
Property Insights of 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid
The XLogP value of 3.12222 indicates that 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid has 3 hydrogen bond donor(s) and 4 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-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid?
The CAS number of 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid is 518007-46-0.
What is the molecular formula of 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid?
The molecular formula of 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid is C17H15NO5S.
What is the molecular weight of 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid?
The molecular weight of 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid is 345.07 g/mol.
Where can I buy 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid?
You can request a quote for 5-({[(4-Methylphenyl)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-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-({[(4-Methylphenyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.