4-(2-Chloro-4-nitrobenzamido)benzoic acid
TL;DR: 4-(2-Chloro-4-nitrobenzamido)benzoic acid (CAS 312944-39-1) is a chemical compound with molecular formula C14H9ClN2O5 and molecular weight 320.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-4-nitrobenzoyl)amino]benzoic acid
Also Known As: 4-(2-chloro-4-nitrobenzamido)benzoic acid, 4-[(2-chloro-4-nitrobenzoyl)amino]benzoic acid, A1759/0074695, 4-[(2-chloro-4-nitrophenyl)carbonylamino]benzoic acid, 4-{[(2-chloro-4-nitrophenyl)carbonyl]amino}benzoic acid
| Molecular Formula | C14H9ClN2O5 |
|---|---|
| Molecular Weight | 320.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.02 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 312944-39-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | OFCNEBDIUCWLCY-UHFFFAOYSA-N |
Product Overview
4-(2-Chloro-4-nitrobenzamido)benzoic acid (CAS 312944-39-1), with molecular formula C14H9ClN2O5 and molecular weight 320.02 g/mol. IUPAC: 4-[(2-chloro-4-nitrobenzoyl)amino]benzoic acid.
Chemical Property Profile of 4-(2-Chloro-4-nitrobenzamido)benzoic acid
Property Insights of 4-(2-Chloro-4-nitrobenzamido)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloro-4-nitrobenzamido)benzoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Chloro-4-nitrobenzamido)benzoic acid. Following Lipinski's Rule of Five, 4-(2-Chloro-4-nitrobenzamido)benzoic acid has 2 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 4-(2-Chloro-4-nitrobenzamido)benzoic acid?
The CAS number of 4-(2-Chloro-4-nitrobenzamido)benzoic acid is 312944-39-1.
What is the molecular formula of 4-(2-Chloro-4-nitrobenzamido)benzoic acid?
The molecular formula of 4-(2-Chloro-4-nitrobenzamido)benzoic acid is C14H9ClN2O5.
What is the molecular weight of 4-(2-Chloro-4-nitrobenzamido)benzoic acid?
The molecular weight of 4-(2-Chloro-4-nitrobenzamido)benzoic acid is 320.02 g/mol.
Where can I buy 4-(2-Chloro-4-nitrobenzamido)benzoic acid?
You can request a quote for 4-(2-Chloro-4-nitrobenzamido)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-(2-Chloro-4-nitrobenzamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloro-4-nitrobenzamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.