2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
TL;DR: 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 206280-67-3) is a chemical compound with molecular formula C15H11F3N2S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-(benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile, J1.057.321A, 2-(benzylthio)-6-methyl-4-(trifluoromethyl)nicotinonitrile, 2-benzylsulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-Methyl-4-(trifluoromethyl)-2-(benzylthio)pyridine-3-carbonitrile
| Molecular Formula | C15H11F3N2S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 4.5728 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0595 |
| Heavy Atoms | 21 |
| Complexity | 675.7986 |
Chemical Identifiers
| CAS Number | 206280-67-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC2=CC=CC=C2)C#N)C(F)(F)F |
Product Overview
2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 206280-67-3), with molecular formula C15H11F3N2S and molecular weight 308.06 g/mol. IUPAC: 2-benzylsulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Property Insights of 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
The XLogP value of 4.5728 indicates that 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile has 0 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 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The CAS number of 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is 206280-67-3.
What is the molecular formula of 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular formula of 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is C15H11F3N2S.
What is the molecular weight of 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular weight of 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is 308.06 g/mol.
Where can I buy 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
You can request a quote for 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.