(4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-
TL;DR: (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl- (CAS 116736-42-6) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.07794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-6-methyl-4-pyridin-4-yl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: 6-Methyl-5-acetyl-3-cyano-4-pyridyl-1,4-dihydropyridine-2(3H)-thione, 1,4-Dihydro-5-acetyl-2-mercapto-6-methyl-(4,4'-bipyridine)-3-carbonitrile, (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-, 5-Acetyl-6-methyl-2-sulfanyl-1,4-dihydro[4,4'-bipyridine]-3-carbonitrile, 5-acetyl-6-methyl-4-pyridin-4-yl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C14H13N3OS |
| Molecular Weight | 271.07794 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.07794 Da |
| Heavy Atoms | 19 |
| Complexity | 506.0 |
| SMILES | CC1=C(C(C(=C(N1)S)C#N)C2=CC=NC=C2)C(=O)C |
| InChIKey | APRYYOTYMLTMRL-UHFFFAOYSA-N |
Chemical Property Profile of (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-
Property Insights of (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-. Following Lipinski's Rule of Five, (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-?
The CAS number of (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl- is 116736-42-6.
What is the molecular formula of (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-?
The molecular formula of (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl- is C14H13N3OS.
What is the molecular weight of (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-?
The molecular weight of (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl- is 271.07794 g/mol.
Where can I buy (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-?
You can request a quote for (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-?
Yes, CoreyChem provides custom synthesis services for (4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.