Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate
TL;DR: Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate (CAS 80104-36-5) is a chemical compound with molecular formula C12H8F3NO3 and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate
Also Known As: ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate, DroloxifeneCitrate, ethyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate, Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate, J2.421.718C
| Molecular Formula | C12H8F3NO3 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 2.1221 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.04562 |
| Heavy Atoms | 19 |
| Complexity | 724.21185 |
Chemical Identifiers
| CAS Number | 80104-36-5 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C(=C(C=C2C1=O)F)F)F |
Product Overview
Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate (CAS 80104-36-5), with molecular formula C12H8F3NO3 and molecular weight 271.05 g/mol. IUPAC: ethyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate
Property Insights of Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate
The XLogP value of 2.1221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate 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 Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate?
The CAS number of Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate is 80104-36-5.
What is the molecular formula of Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate?
The molecular formula of Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate is C12H8F3NO3.
What is the molecular weight of Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate?
The molecular weight of Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate is 271.05 g/mol.
Where can I buy Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate?
You can request a quote for Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate 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-1,4-dihydro-4-oxo-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.