![3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid structure](/static/products/881/881941-41-9.png)
3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid
TL;DR: 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid (CAS 881941-41-9) is a chemical compound with molecular formula C20H15F3N2O4 and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
Also Known As: 3-{[3-(ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid, 3-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic Acid, 3-((3-(ethoxycarbonyl)-7-(trifluoromethyl)quinolin-4-yl)amino)benzoic acid, 3-{[3-(ethoxycarbonyl)-7-(trifluoromethyl)quinolin-4-yl]amino}benzoic acid
| Molecular Formula | C20H15F3N2O4 |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 4.8721 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.0984 |
| Heavy Atoms | 29 |
| Complexity | 1096.7667 |
Chemical Identifiers
| CAS Number | 881941-41-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=CC(=C3)C(=O)O)C(F)(F)F |
Product Overview
3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid (CAS 881941-41-9), with molecular formula C20H15F3N2O4 and molecular weight 404.10 g/mol. IUPAC: 3-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid.
Chemical Property Profile of 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid
Property Insights of 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid
The XLogP value of 4.8721 indicates that 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]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 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]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 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid?
The CAS number of 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid is 881941-41-9.
What is the molecular formula of 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid?
The molecular formula of 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid is C20H15F3N2O4.
What is the molecular weight of 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid?
The molecular weight of 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid is 404.10 g/mol.
Where can I buy 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid?
You can request a quote for 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]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 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(Ethoxycarbonyl)-7-(trifluoromethyl)-4-quinolyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.