![5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid structure](/static/products/6927/692770-31-3.webp)
5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid
TL;DR: 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid (CAS 692770-31-3) is a chemical compound with molecular formula C16H12ClNO6 and molecular weight 349.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chloro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-(3-chloro-4-methoxybenzamido)isophthalic acid, 5-[(3-chloro-4-methoxybenzoyl)amino]isophthalic acid, 5-[(3-chloro-4-methoxy-benzoyl)amino]benzene-1,3-dicarboxylic Acid, 5-[(3-chloro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylic acid, 5-{[(3-chloro-4-methoxyphenyl)carbonyl]amino}benzene-1,3-dicarboxylic acid
| Molecular Formula | C16H12ClNO6 |
|---|---|
| Molecular Weight | 349.04 g/mol |
| LogP | 2.9973 |
| Topological Polar Surface Area | 112.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.0353 |
| Heavy Atoms | 24 |
| Complexity | 801.0625 |
Chemical Identifiers
| CAS Number | 692770-31-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl |
Product Overview
5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid (CAS 692770-31-3), with molecular formula C16H12ClNO6 and molecular weight 349.04 g/mol. IUPAC: 5-[(3-chloro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid
Property Insights of 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid
The XLogP value of 2.9973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid. The TPSA of 112.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid. Following Lipinski's Rule of Five, 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic 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-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid?
The CAS number of 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid is 692770-31-3.
What is the molecular formula of 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid?
The molecular formula of 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid is C16H12ClNO6.
What is the molecular weight of 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid?
The molecular weight of 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid is 349.04 g/mol.
Where can I buy 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid?
You can request a quote for 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Chloro-4-methoxybenzoyl)amino]isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.