4-(((4-Aminophenyl)amino)carbonyl)benzoic acid
TL;DR: 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid (CAS 89846-77-5) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminophenyl)carbamoyl]benzoic acid
Also Known As: 4-[(4-aminophenyl)carbamoyl]benzoic acid, benzoic acid, 4-[[(4-aminophenyl)amino]carbonyl]-, 4-{[(4-aminophenyl)amino]carbonyl}benzoic acid, 1-Dodecanaminium,N,N,N-triheptyl-,iodide, 4-[[(4-Aminophenyl)amino]carbonyl]benzoic acid
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 89846-77-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)C(=O)O |
| InChIKey | CRSYKZZUXKPAFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(((4-Aminophenyl)amino)carbonyl)benzoic acid (CAS 89846-77-5), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: 4-[(4-aminophenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid
Property Insights of 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid. Following Lipinski's Rule of Five, 4-(((4-Aminophenyl)amino)carbonyl)benzoic 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 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid?
The CAS number of 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid is 89846-77-5.
What is the molecular formula of 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid?
The molecular formula of 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid is C14H12N2O3.
What is the molecular weight of 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid?
The molecular weight of 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid is 256.08 g/mol.
Where can I buy 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid?
You can request a quote for 4-(((4-Aminophenyl)amino)carbonyl)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-(((4-Aminophenyl)amino)carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.