![5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile structure](/static/products/5725/5725-60-0.webp)
5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
TL;DR: 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile (CAS 5725-60-0) is a chemical compound with molecular formula C26H20N2O4S and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
Also Known As: 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile, 5-acetyl-6-methyl-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]thio}-4-phenyl-1,4-dihydro-3-pyridinecarbonitrile, 5-Acetyl-6-methyl-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-4-phenyl-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C26H20N2O4S |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 4.69408 |
| Topological Polar Surface Area | 100.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.11438 |
| Heavy Atoms | 33 |
| Complexity | 1427.9175 |
Chemical Identifiers
| CAS Number | 5725-60-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C#N)C4=CC=CC=C4)C(=O)C |
Product Overview
5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile (CAS 5725-60-0), with molecular formula C26H20N2O4S and molecular weight 456.11 g/mol. IUPAC: 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
Property Insights of 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile
The XLogP value of 4.69408 indicates that 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 7 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-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
The CAS number of 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is 5725-60-0.
What is the molecular formula of 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
The molecular formula of 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is C26H20N2O4S.
What is the molecular weight of 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
The molecular weight of 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile is 456.11 g/mol.
Where can I buy 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
You can request a quote for 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-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-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-6-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.