2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile
TL;DR: 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile (CAS 370075-41-5) is a chemical compound with molecular formula C22H18N2O2S and molecular weight 374.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile
Also Known As: 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile, 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile, 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6-hydroxy-4-phenylpyridine-3-carbonitrile
| Molecular Formula | C22H18N2O2S |
|---|---|
| Molecular Weight | 374.11 g/mol |
| LogP | 4.50542 |
| Topological Polar Surface Area | 73.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1089 |
| Heavy Atoms | 27 |
| Complexity | 1095.531 |
Chemical Identifiers
| CAS Number | 370075-41-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)CSC2=C(C(=CC(=O)N2)C3=CC=CC=C3)C#N)C |
Product Overview
2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile (CAS 370075-41-5), with molecular formula C22H18N2O2S and molecular weight 374.11 g/mol. IUPAC: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-phenyl-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile
Property Insights of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile
The XLogP value of 4.50542 indicates that 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile. Following Lipinski's Rule of Five, 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile has 1 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-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile?
The CAS number of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile is 370075-41-5.
What is the molecular formula of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile?
The molecular formula of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile is C22H18N2O2S.
What is the molecular weight of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile?
The molecular weight of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile is 374.11 g/mol.
Where can I buy 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile?
You can request a quote for 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6-hydroxy-4-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.