Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate
TL;DR: Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate (CAS 391-02-6) is a chemical compound with molecular formula C13H10F3NO3 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate
Also Known As: ethyl 4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylate, Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate, BIDD:GT0531, Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate, ethyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate
| Molecular Formula | C13H10F3NO3 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.06128 |
| Heavy Atoms | 20 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 391-02-6 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C(F)(F)F |
| InChIKey | YHUWNMJUAZJACG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate (CAS 391-02-6), with molecular formula C13H10F3NO3 and molecular weight 285.06 g/mol. IUPAC: ethyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate
Property Insights of Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate has 1 hydrogen bond donor(s) and 7 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 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate?
The CAS number of Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate is 391-02-6.
What is the molecular formula of Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate?
The molecular formula of Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate is C13H10F3NO3.
What is the molecular weight of Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate?
The molecular weight of Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate is 285.06 g/mol.
Where can I buy Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate?
You can request a quote for Ethyl 4-hydroxy-7-trifluoromethyl-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 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.