![2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile structure](/static/products/3118/311809-98-0.webp)
2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
TL;DR: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile (CAS 311809-98-0) is a chemical compound with molecular formula C25H19FN4OS and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
Also Known As: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile, 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-6-phenylnicotinonitrile, 2-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile, 2-[2-(3,5-dimethylpyrazolyl)-2-oxoethylthio]-4-(4-fluorophenyl)-6-phenylpyridi ne-3-carbonitrile, 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
| Molecular Formula | C25H19FN4OS |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 5.67222 |
| Topological Polar Surface Area | 71.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.12637 |
| Heavy Atoms | 32 |
| Complexity | 1324.8068 |
Chemical Identifiers
| CAS Number | 311809-98-0 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C#N)C |
Product Overview
2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile (CAS 311809-98-0), with molecular formula C25H19FN4OS and molecular weight 442.13 g/mol. IUPAC: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
Property Insights of 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
The XLogP value of 5.67222 indicates that 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile has 0 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 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile?
The CAS number of 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile is 311809-98-0.
What is the molecular formula of 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile?
The molecular formula of 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile is C25H19FN4OS.
What is the molecular weight of 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile?
The molecular weight of 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile is 442.13 g/mol.
Where can I buy 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile?
You can request a quote for 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.