3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate
TL;DR: 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate (CAS 442564-19-4) is a chemical compound with molecular formula C21H17F3N2O4 and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 6-O-methyl 4-[3-(trifluoromethyl)anilino]quinoline-3,6-dicarboxylate
Also Known As: 3-ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate, BB 0222007, F3097-4537, 4-(3-Trifluoromethyl-phenylamino)-quinoline-3,6-dicarboxylic acid 3-ethyl ester 6-methyl ester, 3-ethyl 6-methyl 4-{[3-(trifluoromethyl)phenyl]amino}quinoline-3,6-dicarboxylate
| Molecular Formula | C21H17F3N2O4 |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 4.9605 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.11404 |
| Heavy Atoms | 30 |
| Complexity | 1113.092 |
Chemical Identifiers
| CAS Number | 442564-19-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC(=C3)C(F)(F)F)C(=O)OC |
Product Overview
3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate (CAS 442564-19-4), with molecular formula C21H17F3N2O4 and molecular weight 418.11 g/mol. IUPAC: 3-O-ethyl 6-O-methyl 4-[3-(trifluoromethyl)anilino]quinoline-3,6-dicarboxylate.
Chemical Property Profile of 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate
Property Insights of 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate
The XLogP value of 4.9605 indicates that 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate has 1 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 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate?
The CAS number of 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate is 442564-19-4.
What is the molecular formula of 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate?
The molecular formula of 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate is C21H17F3N2O4.
What is the molecular weight of 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate?
The molecular weight of 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate is 418.11 g/mol.
Where can I buy 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate?
You can request a quote for 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl 6-methyl 4-((3-(trifluoromethyl)phenyl)amino)quinoline-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.