5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid
TL;DR: 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid (CAS 402610-07-5) is a chemical compound with molecular formula C15H9ClN2O7 and molecular weight 364.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chloro-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-(4-CHLORO-3-NITROBENZAMIDO)BENZENE-1,3-DICARBOXYLIC ACID, 5-[(4-chloro-3-nitrobenzoyl)amino]isophthalic acid, 5-[(4-chloro-3-nitro-benzoyl)amino]benzene-1,3-dicarboxylic Acid, 5-[(4-chloro-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid, 5-{[(4-chloro-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylic acid
| Molecular Formula | C15H9ClN2O7 |
|---|---|
| Molecular Weight | 364.01 g/mol |
| LogP | 2.8969 |
| Topological Polar Surface Area | 146.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.00983 |
| Heavy Atoms | 25 |
| Complexity | 878.49805 |
Chemical Identifiers
| CAS Number | 402610-07-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)[N+](=O)[O-])Cl |
Product Overview
5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid (CAS 402610-07-5), with molecular formula C15H9ClN2O7 and molecular weight 364.01 g/mol. IUPAC: 5-[(4-chloro-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid
Property Insights of 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid
The XLogP value of 2.8969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid. The TPSA of 146.84 Ų indicates high polarity, suggesting 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid has 3 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 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid?
The CAS number of 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid is 402610-07-5.
What is the molecular formula of 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid?
The molecular formula of 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid is C15H9ClN2O7.
What is the molecular weight of 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid?
The molecular weight of 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid is 364.01 g/mol.
Where can I buy 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid?
You can request a quote for 5-(4-Chloro-3-nitrobenzamido)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-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chloro-3-nitrobenzamido)benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.