![4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid structure](/static/products/433/433696-53-8.png)
4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid
TL;DR: 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid (CAS 433696-53-8) is a chemical compound with molecular formula C19H15BrN2O4 and molecular weight 414.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-bromo-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
Also Known As: 4-{[6-bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid, 4-[(6-bromo-3-ethoxycarbonyl-quinolin-4-yl)amino]benzoic Acid, 4-((6-bromo-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid, 4-{[6-bromo-3-(ethoxycarbonyl)-4-quinolinyl]amino}benzoic acid
| Molecular Formula | C19H15BrN2O4 |
|---|---|
| Molecular Weight | 414.02 g/mol |
| LogP | 4.6158 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.0215 |
| Heavy Atoms | 26 |
| Complexity | 986.7457 |
Chemical Identifiers
| CAS Number | 433696-53-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)C(=O)O)Br |
Product Overview
4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid (CAS 433696-53-8), with molecular formula C19H15BrN2O4 and molecular weight 414.02 g/mol. IUPAC: 4-[(6-bromo-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid.
Chemical Property Profile of 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid
Property Insights of 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid
The XLogP value of 4.6158 indicates that 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}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-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid?
The CAS number of 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid is 433696-53-8.
What is the molecular formula of 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid?
The molecular formula of 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid is C19H15BrN2O4.
What is the molecular weight of 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid?
The molecular weight of 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid is 414.02 g/mol.
Where can I buy 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid?
You can request a quote for 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-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-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[6-Bromo-3-(ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.