1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile
TL;DR: 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile (CAS 109619-35-4) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile, (3,4'-Bipyridine)-3'-carbonitrile, 1',4'-dihydro-5'-acetyl-2'-mercapto-6'-methyl-, 5-acetyl-6-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile, 5'-acetyl-6'-methyl-2'-sulfanyl-1',4'-dihydro-3,4'-bipyridine-3'-carbonitrile, 5'-Acetyl-6'-methyl-2'-sulfanyl-1',4'-dihydro[3,4'-bipyridine]-3'-carbonitrile
| Molecular Formula | C14H13N3OS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 2.29638 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.07794 |
| Heavy Atoms | 19 |
| Complexity | 625.8412 |
Chemical Identifiers
| CAS Number | 109619-35-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)S)C#N)C2=CN=CC=C2)C(=O)C |
Product Overview
1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile (CAS 109619-35-4), with molecular formula C14H13N3OS and molecular weight 271.08 g/mol. IUPAC: 5-acetyl-6-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile
Property Insights of 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile
The XLogP value of 2.29638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile. Following Lipinski's Rule of Five, 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile 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
Frequently Asked Questions
What is the CAS number of 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile?
The CAS number of 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile is 109619-35-4.
What is the molecular formula of 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile?
The molecular formula of 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile is C14H13N3OS.
What is the molecular weight of 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile?
The molecular weight of 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile is 271.08 g/mol.
Where can I buy 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile?
You can request a quote for 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1',4'-Dihydro-5'-acetyl-2'-mercapto-6'-methyl-(3,4'-bipyridine)-3'-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.