![3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile structure](/static/products/3383/338396-81-9.webp)
3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile
TL;DR: 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile (CAS 338396-81-9) 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.
3-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine-2-carbonitrile
Also Known As: Bionet2_000980, 3-[(4-chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile, 2G-034, 3-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine-2-carbonitrile, 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(trifluoromethyl)pyridine-2-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 | 338396-81-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=C(N=CC(=C2)C(F)(F)F)C#N)Cl |
Product Overview
3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile (CAS 338396-81-9), with molecular formula C14H8ClF3N2S and molecular weight 328.00 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine-2-carbonitrile.
Chemical Property Profile of 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile
Property Insights of 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile
The XLogP value of 4.91778 indicates that 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile 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 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The CAS number of 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile is 338396-81-9.
What is the molecular formula of 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The molecular formula of 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile is C14H8ClF3N2S.
What is the molecular weight of 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
The molecular weight of 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile is 328.00 g/mol.
Where can I buy 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
You can request a quote for 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorobenzyl)sulfanyl]-5-(trifluoromethyl)-2-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.