4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
TL;DR: 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 369605-52-7) is a chemical compound with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-(4-methylphenyl)-6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile, 6-oxo-2-((2-oxo-2-phenylethyl)thio)-4-(p-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C21H18N2O2S |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 3.9498 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.1089 |
| Heavy Atoms | 26 |
| Complexity | 895.85834 |
Chemical Identifiers
| CAS Number | 369605-52-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)C3=CC=CC=C3 |
Product Overview
4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile (CAS 369605-52-7), with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol. IUPAC: 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Property Insights of 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
The XLogP value of 3.9498 indicates that 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile 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 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The CAS number of 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile is 369605-52-7.
What is the molecular formula of 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular formula of 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile is C21H18N2O2S.
What is the molecular weight of 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The molecular weight of 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile is 362.11 g/mol.
Where can I buy 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
You can request a quote for 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.