5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 97579-09-4) is a chemical compound with molecular formula C15H11FN2OS and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 5-Acetyl-4-(4-fluoro-phenyl)-6-methyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile, 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
| Molecular Formula | C15H11FN2OS |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 3.93299 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.05762 |
| Heavy Atoms | 20 |
| Complexity | 785.2464 |
Chemical Identifiers
| CAS Number | 97579-09-4 |
|---|---|
| SMILES | CC1=C(C(=C(C(=S)N1)C#N)C2=CC=C(C=C2)F)C(=O)C |
Product Overview
5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 97579-09-4), with molecular formula C15H11FN2OS and molecular weight 286.06 g/mol. IUPAC: 5-acetyl-4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 3.93299 indicates that 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.65 Ų, 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 97579-09-4.
What is the molecular formula of 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile is C15H11FN2OS.
What is the molecular weight of 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 286.06 g/mol.
Where can I buy 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-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-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.