5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile
TL;DR: 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile (CAS 330591-68-9) is a chemical compound with molecular formula C22H26N2O2S and molecular weight 382.17 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-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-2-(allylsulfanyl)-4-(4-butoxyphenyl)-6-methyl-1,4-dihydro-3-pyridinecarbonitrile, 5-acetyl-2-(allylthio)-4-(4-butoxyphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-(prop-2-en-1-ylsulfanyl)-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C22H26N2O2S |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 5.06968 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 382.1715 |
| Heavy Atoms | 27 |
| Complexity | 800.59686 |
Chemical Identifiers
| CAS Number | 330591-68-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC=C)C#N |
Product Overview
5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile (CAS 330591-68-9), with molecular formula C22H26N2O2S and molecular weight 382.17 g/mol. IUPAC: 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile
Property Insights of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile
The XLogP value of 5.06968 indicates that 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-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-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile?
The CAS number of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile is 330591-68-9.
What is the molecular formula of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile?
The molecular formula of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile is C22H26N2O2S.
What is the molecular weight of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile?
The molecular weight of 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile is 382.17 g/mol.
Where can I buy 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile?
You can request a quote for 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-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-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.