4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
TL;DR: 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile (CAS 339349-05-2) is a chemical compound with molecular formula C12H7F3N2O2 and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbonitrile
Also Known As: 4-hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile, 6-methoxy-4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbonitrile, 6-methoxy-4-oxo-2-(trifluoromethyl)-1,4-dihydro-3-quinolinecarbonitrile, 6-methoxy-4-oxo-2-(trifluoromethyl)hydroquinoline-3-carbonitrile
| Molecular Formula | C12H7F3N2O2 |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 2.42718 |
| Topological Polar Surface Area | 65.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.04596 |
| Heavy Atoms | 19 |
| Complexity | 741.4387 |
Chemical Identifiers
| CAS Number | 339349-05-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=C(C2=O)C#N)C(F)(F)F |
Product Overview
4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile (CAS 339349-05-2), with molecular formula C12H7F3N2O2 and molecular weight 268.05 g/mol. IUPAC: 6-methoxy-4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
Property Insights of 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
The XLogP value of 2.42718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile. The TPSA of 65.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile. Following Lipinski's Rule of Five, 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile 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 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The CAS number of 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is 339349-05-2.
What is the molecular formula of 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The molecular formula of 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is C12H7F3N2O2.
What is the molecular weight of 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The molecular weight of 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is 268.05 g/mol.
Where can I buy 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
You can request a quote for 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.