Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate
TL;DR: Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate (CAS 220227-80-5) 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-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
Also Known As: Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate, null, Maybridge1_003297, Bionet2_000129, 1,3-DICYCLOHEXYLBARBITURICACID
| Molecular Formula | C13H10F3NO3 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.7236 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.06128 |
| Heavy Atoms | 20 |
| Complexity | 718.85364 |
Chemical Identifiers
| CAS Number | 220227-80-5 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C(F)(F)F |
Product Overview
Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate (CAS 220227-80-5), with molecular formula C13H10F3NO3 and molecular weight 285.06 g/mol. IUPAC: ethyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate
Property Insights of Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate
The XLogP value of 2.7236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate 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 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate?
The CAS number of Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate is 220227-80-5.
What is the molecular formula of Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate?
The molecular formula of Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate is C13H10F3NO3.
What is the molecular weight of Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate?
The molecular weight of Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate is 285.06 g/mol.
Where can I buy Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate?
You can request a quote for Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-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 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.