4-Methyl-2-(trifluoromethyl)quinoline
TL;DR: 4-Methyl-2-(trifluoromethyl)quinoline (CAS 76068-41-2) is a chemical compound with molecular formula C11H8F3N and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(trifluoromethyl)quinoline
Also Known As: 4-Methyl-2-(trifluoromethyl)quinoline, Quinoline, 4-methyl-2-(trifluoromethyl)-, 4-Methyl-2-trifluoromethyl-quinoline, BAS 00312182, 2-(Trifluoromethyl)-4-methylquinoline
| Molecular Formula | C11H8F3N |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.06088 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 76068-41-2 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C12)C(F)(F)F |
| InChIKey | LIPWMZMOUSKJKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-2-(trifluoromethyl)quinoline (CAS 76068-41-2), with molecular formula C11H8F3N and molecular weight 211.06 g/mol. IUPAC: 4-methyl-2-(trifluoromethyl)quinoline.
Chemical Property Profile of 4-Methyl-2-(trifluoromethyl)quinoline
Property Insights of 4-Methyl-2-(trifluoromethyl)quinoline
The XLogP value of 3.5 indicates that 4-Methyl-2-(trifluoromethyl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 4-Methyl-2-(trifluoromethyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-(trifluoromethyl)quinoline has 0 hydrogen bond donor(s) and 4 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-Methyl-2-(trifluoromethyl)quinoline?
The CAS number of 4-Methyl-2-(trifluoromethyl)quinoline is 76068-41-2.
What is the molecular formula of 4-Methyl-2-(trifluoromethyl)quinoline?
The molecular formula of 4-Methyl-2-(trifluoromethyl)quinoline is C11H8F3N.
What is the molecular weight of 4-Methyl-2-(trifluoromethyl)quinoline?
The molecular weight of 4-Methyl-2-(trifluoromethyl)quinoline is 211.06 g/mol.
Where can I buy 4-Methyl-2-(trifluoromethyl)quinoline?
You can request a quote for 4-Methyl-2-(trifluoromethyl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-(trifluoromethyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-(trifluoromethyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.