6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one
TL;DR: 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one (CAS 587885-84-5) is a chemical compound with molecular formula C11H5F6NO2 and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
Also Known As: 6-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-ol, 4-Hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)quinoline, Maybridge1_005098, 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one, BUTTPARK 48\04-94
| Molecular Formula | C11H5F6NO2 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | 3.4455 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.02246 |
| Heavy Atoms | 20 |
| Complexity | 700.5963 |
Chemical Identifiers
| CAS Number | 587885-84-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1OC(F)(F)F)C(=O)C=C(N2)C(F)(F)F |
Product Overview
6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one (CAS 587885-84-5), with molecular formula C11H5F6NO2 and molecular weight 297.02 g/mol. IUPAC: 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one.
Chemical Property Profile of 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one
Property Insights of 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one
The XLogP value of 3.4455 indicates that 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one has 1 hydrogen bond donor(s) and 2 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 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one?
The CAS number of 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one is 587885-84-5.
What is the molecular formula of 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one?
The molecular formula of 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one is C11H5F6NO2.
What is the molecular weight of 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one?
The molecular weight of 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one is 297.02 g/mol.
Where can I buy 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one?
You can request a quote for 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.