5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile
TL;DR: 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile (CAS 337922-68-6) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
Also Known As: 5-acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile, 10K-403S, 5-acetyl-6-methyl-2-(prop-2-en-1-ylsulfanyl)pyridine-3-carbonitrile, 5-acetyl-6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile, 5-acetyl-2-allylsulfanyl-6-methyl-pyridine-3-carbonitrile
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.7424 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 474.6425 |
Chemical Identifiers
| CAS Number | 337922-68-6 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)SCC=C)C#N)C(=O)C |
Product Overview
5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile (CAS 337922-68-6), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 5-acetyl-6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile
Property Insights of 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile
The XLogP value of 2.7424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile. With a topological polar surface area (TPSA) of 53.75 Ų, 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile has 0 hydrogen bond donor(s) and 4 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 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile?
The CAS number of 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile is 337922-68-6.
What is the molecular formula of 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile?
The molecular formula of 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile is C12H12N2OS.
What is the molecular weight of 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile?
The molecular weight of 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile is 232.07 g/mol.
Where can I buy 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile?
You can request a quote for 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile 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-(allylsulfanyl)-6-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-(allylsulfanyl)-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.