2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 313380-15-3) is a chemical compound with molecular formula C20H19F3N4OS and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile, 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C20H19F3N4OS |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 3.50518 |
| Topological Polar Surface Area | 60.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.12317 |
| Heavy Atoms | 29 |
| Complexity | 919.804 |
Chemical Identifiers
| CAS Number | 313380-15-3 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N |
Product Overview
2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 313380-15-3), with molecular formula C20H19F3N4OS and molecular weight 420.12 g/mol. IUPAC: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 3.50518 indicates that 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile. Following Lipinski's Rule of Five, 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 5 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-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is 313380-15-3.
What is the molecular formula of 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is C20H19F3N4OS.
What is the molecular weight of 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is 420.12 g/mol.
Where can I buy 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-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-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-methylpiperazin-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.