5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile
TL;DR: 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile (CAS 339191-34-3) is a chemical compound with molecular formula C19H22N2O2S and molecular weight 342.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-4-(4-butoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C19H22N2O2S |
|---|---|
| Molecular Weight | 342.14 g/mol |
| LogP | 4.08028 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.1402 |
| Heavy Atoms | 24 |
| Complexity | 726.7288 |
Chemical Identifiers
| CAS Number | 339191-34-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)S)C#N |
Product Overview
5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile (CAS 339191-34-3), with molecular formula C19H22N2O2S and molecular weight 342.14 g/mol. IUPAC: 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile
Property Insights of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile
The XLogP value of 4.08028 indicates that 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-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 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile?
The CAS number of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile is 339191-34-3.
What is the molecular formula of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile?
The molecular formula of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile is C19H22N2O2S.
What is the molecular weight of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile?
The molecular weight of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile is 342.14 g/mol.
Where can I buy 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile?
You can request a quote for 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.