3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-
TL;DR: 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl- (CAS 117509-71-4) is a chemical compound with molecular formula C16H16N2OS and molecular weight 284.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: BAS 02590003, 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-, 5-acetyl-6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile, AB00078522-01, 1,4-Dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-3-pyridinecarbonitrile
Technical Specifications
| Molecular Formula | C16H16N2OS |
| Molecular Weight | 284.09833 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.09833 Da |
| Heavy Atoms | 20 |
| Complexity | 518.0 |
| SMILES | CC1=C(C(C(=C(N1)SC)C#N)C2=CC=CC=C2)C(=O)C |
| InChIKey | JFSDHMISHAZGDL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-
Property Insights of 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl- 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
What is the CAS number of 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-?
The CAS number of 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl- is 117509-71-4.
What is the molecular formula of 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-?
The molecular formula of 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl- is C16H16N2OS.
What is the molecular weight of 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-?
The molecular weight of 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl- is 284.09833 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-?
You can request a quote for 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-?
Yes, CoreyChem provides custom synthesis services for 3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.