5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile
TL;DR: 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile (CAS 330181-03-8) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile
Also Known As: 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile, 5-acetyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile, 5-acetyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6-methylnicotinonitrile, 5-acetyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6-methylpyridine-3-carbonitrile
| Molecular Formula | C18H16N2O3S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 3.4479 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.08817 |
| Heavy Atoms | 24 |
| Complexity | 823.3929 |
Chemical Identifiers
| CAS Number | 330181-03-8 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C(=O)C |
Product Overview
5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile (CAS 330181-03-8), with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol. IUPAC: 5-acetyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile
Property Insights of 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile
The XLogP value of 3.4479 indicates that 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile. Following Lipinski's Rule of Five, 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile has 0 hydrogen bond donor(s) and 6 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-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile?
The CAS number of 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile is 330181-03-8.
What is the molecular formula of 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile?
The molecular formula of 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile is C18H16N2O3S.
What is the molecular weight of 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile?
The molecular weight of 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile is 340.09 g/mol.
Where can I buy 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile?
You can request a quote for 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-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-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.