5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile
TL;DR: 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile (CAS 132351-37-2) is a chemical compound with molecular formula C18H17ClN2OS and molecular weight 344.075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-4-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyridine-3-carbonitrile
Also Known As: 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile, F0182-0408, 5-acetyl-4-(4-chlorophenyl)-6-methyl-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyridine-3-carbonitrile, 5-acetyl-4-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyridine-3-carbonitrile, 3-allyl-6-acetyl-6-methyl-4-(4-chlorophenyl)-3-cyano-1,2,3,4-tetrahydropyridine-2-thione
Technical Specifications
| Molecular Formula | C18H17ClN2OS |
| Molecular Weight | 344.075 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.075 Da |
| Heavy Atoms | 23 |
| Complexity | 610.0 |
| SMILES | CC1=C(C(C(C(=S)N1)(CC=C)C#N)C2=CC=C(C=C2)Cl)C(=O)C |
| InChIKey | RAACWZDSRFHLJL-UHFFFAOYSA-N |
Chemical Property Profile of 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile
Property Insights of 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile
The XLogP value of 3.3 indicates that 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile?
The CAS number of 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile is 132351-37-2.
What is the molecular formula of 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile?
The molecular formula of 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile is C18H17ClN2OS.
What is the molecular weight of 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile?
The molecular weight of 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile is 344.075 g/mol.
Where can I buy 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile?
You can request a quote for 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.