![5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile structure](/static/products/3720/372084-68-9.webp)
5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
TL;DR: 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile (CAS 372084-68-9) is a chemical compound with molecular formula C22H19ClN2OS and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-2-((4-chlorobenzyl)thio)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-2-[(4-chlorobenzyl)sulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C22H19ClN2OS |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 5.55838 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.09067 |
| Heavy Atoms | 27 |
| Complexity | 956.0573 |
Chemical Identifiers
| CAS Number | 372084-68-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3)C(=O)C |
Product Overview
5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile (CAS 372084-68-9), with molecular formula C22H19ClN2OS and molecular weight 394.09 g/mol. IUPAC: 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
Property Insights of 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
The XLogP value of 5.55838 indicates that 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-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-[(4-chlorophenyl)methylsulfanyl]-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-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
The CAS number of 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is 372084-68-9.
What is the molecular formula of 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
The molecular formula of 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is C22H19ClN2OS.
What is the molecular weight of 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
The molecular weight of 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is 394.09 g/mol.
Where can I buy 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
You can request a quote for 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-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-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.