![2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile structure](/static/products/3214/321430-63-1.webp)
2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile
TL;DR: 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile (CAS 321430-63-1) is a chemical compound with molecular formula C15H8F3N3S and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
Also Known As: 1H-008, 2-{[4-(trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile, 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile, 2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3,5-dicarbonitrile
| Molecular Formula | C15H8F3N3S |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 4.13606 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0391 |
| Heavy Atoms | 22 |
| Complexity | 755.5729 |
Chemical Identifiers
| CAS Number | 321430-63-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=C(C=C(C=N2)C#N)C#N)C(F)(F)F |
Product Overview
2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile (CAS 321430-63-1), with molecular formula C15H8F3N3S and molecular weight 319.04 g/mol. IUPAC: 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile
Property Insights of 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile
The XLogP value of 4.13606 indicates that 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile. Following Lipinski's Rule of Five, 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile has 0 hydrogen bond donor(s) and 4 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-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile?
The CAS number of 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile is 321430-63-1.
What is the molecular formula of 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile?
The molecular formula of 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile is C15H8F3N3S.
What is the molecular weight of 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile?
The molecular weight of 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile is 319.04 g/mol.
Where can I buy 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile?
You can request a quote for 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Trifluoromethyl)benzyl]sulfanyl}-3,5-pyridinedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.