5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester
TL;DR: 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester (CAS 93514-83-1) is a chemical compound with molecular formula C14H9F6NO3 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylate
Also Known As: 5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER, ethyl 4-hydroxy-5,7-bis(trifluoromethyl)quinoline-3-carboxylate, ethyl 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylate, Ethyl 5,7-bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylate, 4-Hydroxy-5,7-bis-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester
| Molecular Formula | C14H9F6NO3 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 3.7424 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.04868 |
| Heavy Atoms | 24 |
| Complexity | 850.42444 |
Chemical Identifiers
| CAS Number | 93514-83-1 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=CC(=CC(=C2C1=O)C(F)(F)F)C(F)(F)F |
Product Overview
5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester (CAS 93514-83-1), with molecular formula C14H9F6NO3 and molecular weight 353.05 g/mol. IUPAC: ethyl 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylate.
Chemical Property Profile of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester
Property Insights of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester
The XLogP value of 3.7424 indicates that 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 3 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 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester?
The CAS number of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester is 93514-83-1.
What is the molecular formula of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester?
The molecular formula of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester is C14H9F6NO3.
What is the molecular weight of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester?
The molecular weight of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester is 353.05 g/mol.
Where can I buy 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester?
You can request a quote for 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.