2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile
TL;DR: 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile (CAS 340809-28-1) is a chemical compound with molecular formula C16H11F3N2O3S and molecular weight 368.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile, 2-[2-(4-Methoxy-phenyl)-2-oxo-ethylsulfanyl]-6-oxo-4-trifluoromethyl-1,6-dihydro-pyridine-3-carbonitrile, 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
| Molecular Formula | C16H11F3N2O3S |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | 3.24898 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.04425 |
| Heavy Atoms | 25 |
| Complexity | 883.4687 |
Chemical Identifiers
| CAS Number | 340809-28-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=O)N2)C(F)(F)F)C#N |
Product Overview
2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile (CAS 340809-28-1), with molecular formula C16H11F3N2O3S and molecular weight 368.04 g/mol. IUPAC: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile
Property Insights of 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile
The XLogP value of 3.24898 indicates that 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile has 1 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-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile?
The CAS number of 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile is 340809-28-1.
What is the molecular formula of 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile?
The molecular formula of 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile is C16H11F3N2O3S.
What is the molecular weight of 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile?
The molecular weight of 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile is 368.04 g/mol.
Where can I buy 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile?
You can request a quote for 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile 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-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.