3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline
TL;DR: 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline (CAS 155495-61-7) is a chemical compound with molecular formula C12H5F6NO and molecular weight 293.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-[4-(trifluoromethyl)quinolin-3-yl]ethanone
Also Known As: 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline, 2,2,2-trifluoro-1-[4-(trifluoromethyl)quinolin-3-yl]ethanone, 2,2,2-trifluoro-1-(4-(trifluoromethyl)quinolin-3-yl)ethanone
| Molecular Formula | C12H5F6NO |
|---|---|
| Molecular Weight | 293.03 g/mol |
| LogP | 3.9986 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.02753 |
| Heavy Atoms | 20 |
| Complexity | 673.6824 |
Chemical Identifiers
| CAS Number | 155495-61-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C=N2)C(=O)C(F)(F)F)C(F)(F)F |
Product Overview
3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline (CAS 155495-61-7), with molecular formula C12H5F6NO and molecular weight 293.03 g/mol. IUPAC: 2,2,2-trifluoro-1-[4-(trifluoromethyl)quinolin-3-yl]ethanone.
Chemical Property Profile of 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline
Property Insights of 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline
The XLogP value of 3.9986 indicates that 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline has 0 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 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline?
The CAS number of 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline is 155495-61-7.
What is the molecular formula of 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline?
The molecular formula of 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline is C12H5F6NO.
What is the molecular weight of 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline?
The molecular weight of 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline is 293.03 g/mol.
Where can I buy 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline?
You can request a quote for 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoroacetyl)-4-(trifluoromethyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.