![4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline structure](/static/products/3387/338749-96-5.webp)
4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline
TL;DR: 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline (CAS 338749-96-5) is a chemical compound with molecular formula C17H12F3NS and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylquinoline
Also Known As: 4-methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline, 4N-532S, 4-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylquinoline, 4-methyl-2-[3-(trifluoromethyl)phenyl]sulfanyl-quinoline
| Molecular Formula | C17H12F3NS |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 5.71322 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.06427 |
| Heavy Atoms | 22 |
| Complexity | 827.4921 |
Chemical Identifiers
| CAS Number | 338749-96-5 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C12)SC3=CC=CC(=C3)C(F)(F)F |
Product Overview
4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline (CAS 338749-96-5), with molecular formula C17H12F3NS and molecular weight 319.06 g/mol. IUPAC: 4-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylquinoline.
Chemical Property Profile of 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline
Property Insights of 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline
The XLogP value of 5.71322 indicates that 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline?
The CAS number of 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline is 338749-96-5.
What is the molecular formula of 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline?
The molecular formula of 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline is C17H12F3NS.
What is the molecular weight of 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline?
The molecular weight of 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline is 319.06 g/mol.
Where can I buy 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline?
You can request a quote for 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}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-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.