2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 340818-18-0) is a chemical compound with molecular formula C22H15F3N2O2S and molecular weight 428.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile, 2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-[2-(3-methoxyphenyl)-2-oxoethylthio]-6-phenyl-4-(trifluoromethyl)pyridine-3- carbonitrile, 2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C22H15F3N2O2S |
|---|---|
| Molecular Weight | 428.08 g/mol |
| LogP | 5.62268 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.08063 |
| Heavy Atoms | 30 |
| Complexity | 1109.6008 |
Chemical Identifiers
| CAS Number | 340818-18-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N |
Product Overview
2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile (CAS 340818-18-0), with molecular formula C22H15F3N2O2S and molecular weight 428.08 g/mol. IUPAC: 2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 5.62268 indicates that 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile. Following Lipinski's Rule of Five, 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is 340818-18-0.
What is the molecular formula of 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is C22H15F3N2O2S.
What is the molecular weight of 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile is 428.08 g/mol.
Where can I buy 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-((2-(3-methoxyphenyl)-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-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.