5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile
TL;DR: 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile (CAS 303146-27-2) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-methyl-2-propylsulfanylpyridine-3-carbonitrile
Also Known As: 5-acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile, 5-acetyl-6-methyl-2-(propylsulfanyl)pyridine-3-carbonitrile, 5-acetyl-6-methyl-2-(propylthio)nicotinonitrile, 5-acetyl-6-methyl-2-propylsulfanylpyridine-3-carbonitrile, 5-Acetyl-6-methyl-2-(propylthio)-3-pyridinecarbonitrile
| Molecular Formula | C12H14N2OS |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 2.9664 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.08269 |
| Heavy Atoms | 16 |
| Complexity | 449.06735 |
Chemical Identifiers
| CAS Number | 303146-27-2 |
|---|---|
| SMILES | CCCSC1=NC(=C(C=C1C#N)C(=O)C)C |
Product Overview
5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile (CAS 303146-27-2), with molecular formula C12H14N2OS and molecular weight 234.08 g/mol. IUPAC: 5-acetyl-6-methyl-2-propylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile
Property Insights of 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile
The XLogP value of 2.9664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile. With a topological polar surface area (TPSA) of 53.75 Ų, 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile 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-6-methyl-2-(propylsulfanyl)nicotinonitrile?
The CAS number of 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile is 303146-27-2.
What is the molecular formula of 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile?
The molecular formula of 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile is C12H14N2OS.
What is the molecular weight of 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile?
The molecular weight of 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile is 234.08 g/mol.
Where can I buy 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile?
You can request a quote for 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.