![4-[(7-Chloroquinolin-4-yl)amino]benzoic acid structure](/static/products/5053/50534-13-9.webp)
4-[(7-Chloroquinolin-4-yl)amino]benzoic acid
TL;DR: 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid (CAS 50534-13-9) is a chemical compound with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(7-chloroquinolin-4-yl)amino]benzoic acid
Also Known As: ChemDiv3_001996, IDI1_020962, 4-(7-Chloro-quinolin-4-ylamino)-benzoic acid, 4-[(7-chloroquinolin-4-yl)amino]benzoic acid, 4-(7-chloro-4-quinolylamino) benzoic acid
| Molecular Formula | C16H11ClN2O2 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0509 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 50534-13-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC2=C3C=CC(=CC3=NC=C2)Cl |
| InChIKey | PVKCHTSQSSTMAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(7-Chloroquinolin-4-yl)amino]benzoic acid (CAS 50534-13-9), with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol. IUPAC: 4-[(7-chloroquinolin-4-yl)amino]benzoic acid.
Chemical Property Profile of 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid
Property Insights of 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid has 2 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-[(7-Chloroquinolin-4-yl)amino]benzoic acid?
The CAS number of 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid is 50534-13-9.
What is the molecular formula of 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid?
The molecular formula of 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid is C16H11ClN2O2.
What is the molecular weight of 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid?
The molecular weight of 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid is 298.05 g/mol.
Where can I buy 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid?
You can request a quote for 4-[(7-Chloroquinolin-4-yl)amino]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-[(7-Chloroquinolin-4-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.