![2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile structure](/static/products/339/339200-58-7.png)
2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 339200-58-7) is a chemical compound with molecular formula C20H12F4N2S and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-[(2-fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile, 2-((2-fluorobenzyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile, 2-[(2-fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-[(2-fluorophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C20H12F4N2S |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 6.07048 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.06573 |
| Heavy Atoms | 27 |
| Complexity | 995.09894 |
Chemical Identifiers
| CAS Number | 339200-58-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3F |
Product Overview
2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 339200-58-7), with molecular formula C20H12F4N2S and molecular weight 388.07 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 6.07048 indicates that 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile 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-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile is 339200-58-7.
What is the molecular formula of 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile is C20H12F4N2S.
What is the molecular weight of 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile is 388.07 g/mol.
Where can I buy 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Fluorobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.