![2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid structure](/static/products/3848/384859-58-9.webp)
2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid
TL;DR: 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid (CAS 384859-58-9) is a chemical compound with molecular formula C20H15F3N2O5 and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid
Also Known As: 3-Quinolinecarboxylic acid, s8977, 2-[[3-ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid, 2-((3-(Ethoxycarbonyl)-6-(trifluoromethoxy)quinolin-4-yl)amino)benzoicacid, 2-((3-(Ethoxycarbonyl)-6-(trifluoromethoxy)quinolin-4-yl)amino)benzoic acid
| Molecular Formula | C20H15F3N2O5 |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.7519 |
| Topological Polar Surface Area | 97.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.0933 |
| Heavy Atoms | 30 |
| Complexity | 1115.2825 |
Chemical Identifiers
| CAS Number | 384859-58-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC=C3C(=O)O)OC(F)(F)F |
Product Overview
2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid (CAS 384859-58-9), with molecular formula C20H15F3N2O5 and molecular weight 420.09 g/mol. IUPAC: 2-[[3-ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid.
Chemical Property Profile of 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid
Property Insights of 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid
The XLogP value of 4.7519 indicates that 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid. Following Lipinski's Rule of Five, 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid has 2 hydrogen bond donor(s) and 6 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 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid?
The CAS number of 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid is 384859-58-9.
What is the molecular formula of 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid?
The molecular formula of 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid is C20H15F3N2O5.
What is the molecular weight of 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid?
The molecular weight of 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid is 420.09 g/mol.
Where can I buy 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid?
You can request a quote for 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)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 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.