2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile (CAS 607697-23-4) is a chemical compound with molecular formula C18H10ClF3N2OS and molecular weight 394.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile, 2-[(4-chlorobenzyl)sulfanyl]-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-[(4-chlorophenyl)methylthio]-6-(2-furyl)-4-(trifluoromethyl)pyridine-3-carbo nitrile, 2-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C18H10ClF3N2OS |
|---|---|
| Molecular Weight | 394.02 g/mol |
| LogP | 6.17778 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.01544 |
| Heavy Atoms | 26 |
| Complexity | 948.3029 |
Chemical Identifiers
| CAS Number | 607697-23-4 |
|---|---|
| SMILES | C1=COC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)Cl |
Product Overview
2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile (CAS 607697-23-4), with molecular formula C18H10ClF3N2OS and molecular weight 394.02 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 6.17778 indicates that 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.82 Ų, 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile is 607697-23-4.
What is the molecular formula of 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile is C18H10ClF3N2OS.
What is the molecular weight of 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile is 394.02 g/mol.
Where can I buy 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-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-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-chlorobenzyl)thio)-6-(furan-2-yl)-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.