Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
TL;DR: Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 93969-13-2) is a chemical compound with molecular formula C14H11F4NO3 and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylate
Also Known As: ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate, ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylate, 3-quinolinecarboxylic acid, 6,7,8-trifluoro-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-, ethyl ester, ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-quinoline-3-carboxylate, 6,7,8-Trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
| Molecular Formula | C14H11F4NO3 |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 2.565 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.0675 |
| Heavy Atoms | 22 |
| Complexity | 801.0001 |
Chemical Identifiers
| CAS Number | 93969-13-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)CCF |
Product Overview
Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 93969-13-2), with molecular formula C14H11F4NO3 and molecular weight 317.07 g/mol. IUPAC: ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Property Insights of Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
The XLogP value of 2.565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate has 0 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 Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The CAS number of Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate is 93969-13-2.
What is the molecular formula of Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular formula of Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate is C14H11F4NO3.
What is the molecular weight of Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular weight of Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate is 317.07 g/mol.
Where can I buy Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate?
You can request a quote for Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6,7,8-trifluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.