![2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile structure](/static/products/3030/303017-47-2.webp)
2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
TL;DR: 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile (CAS 303017-47-2) is a chemical compound with molecular formula C17H15FN2OS and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
Also Known As: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile, AE-848/37018136, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylnicotinonitrile, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile, 2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile
| Molecular Formula | C17H15FN2OS |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 3.99264 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0889 |
| Heavy Atoms | 22 |
| Complexity | 763.7089 |
Chemical Identifiers
| CAS Number | 303017-47-2 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C)SCC(=O)C2=CC=C(C=C2)F)C#N)C |
Product Overview
2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile (CAS 303017-47-2), with molecular formula C17H15FN2OS and molecular weight 314.09 g/mol. IUPAC: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
Property Insights of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
The XLogP value of 3.99264 indicates that 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 4 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 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile?
The CAS number of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile is 303017-47-2.
What is the molecular formula of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile?
The molecular formula of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile is C17H15FN2OS.
What is the molecular weight of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile?
The molecular weight of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile is 314.09 g/mol.
Where can I buy 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile?
You can request a quote for 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-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-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.