![2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile structure](/static/products/4780/478050-36-1.webp)
2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile
TL;DR: 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile (CAS 478050-36-1) is a chemical compound with molecular formula C14H8ClF3N2S and molecular weight 328.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 5P-316S, 2-[(4-chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile, 2-[(4-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile, 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C14H8ClF3N2S |
|---|---|
| Molecular Weight | 328.00 g/mol |
| LogP | 4.91778 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.00488 |
| Heavy Atoms | 21 |
| Complexity | 678.09894 |
Chemical Identifiers
| CAS Number | 478050-36-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=C(C=CC(=N2)C(F)(F)F)C#N)Cl |
Product Overview
2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile (CAS 478050-36-1), with molecular formula C14H8ClF3N2S and molecular weight 328.00 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile
Property Insights of 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile
The XLogP value of 4.91778 indicates that 2-[(4-Chlorobenzyl)sulfanyl]-6-(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-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile 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-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile is 478050-36-1.
What is the molecular formula of 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile is C14H8ClF3N2S.
What is the molecular weight of 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile is 328.00 g/mol.
Where can I buy 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-[(4-Chlorobenzyl)sulfanyl]-6-(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-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorobenzyl)sulfanyl]-6-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.