5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
TL;DR: 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile (CAS 331950-55-1) is a chemical compound with molecular formula C22H20N2OS and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: BAS 00666817, AB00075372-01, 5-acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-2-(benzylsulfanyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-2-(benzylthio)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C22H20N2OS |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 4.90498 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.12964 |
| Heavy Atoms | 26 |
| Complexity | 908.1634 |
Chemical Identifiers
| CAS Number | 331950-55-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3)C(=O)C |
Product Overview
5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile (CAS 331950-55-1), with molecular formula C22H20N2OS and molecular weight 360.13 g/mol. IUPAC: 5-acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
Property Insights of 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
The XLogP value of 4.90498 indicates that 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-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 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
The CAS number of 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is 331950-55-1.
What is the molecular formula of 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
The molecular formula of 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is C22H20N2OS.
What is the molecular weight of 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
The molecular weight of 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is 360.13 g/mol.
Where can I buy 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
You can request a quote for 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-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 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.