![2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile structure](/static/products/3139/313976-25-9.webp)
2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
TL;DR: 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile (CAS 313976-25-9) is a chemical compound with molecular formula C16H13FN2OS and molecular weight 300.07 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-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylnicotinonitrile, AE-848/37018375, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile, 2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4,6-dimethylnicotinonitrile
| Molecular Formula | C16H13FN2OS |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 79.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07327 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 313976-25-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)F)C |
| InChIKey | VLBWCTYCKDAPRK-UHFFFAOYSA-N |
Product Overview
2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile (CAS 313976-25-9), with molecular formula C16H13FN2OS and molecular weight 300.07 g/mol. IUPAC: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
Property Insights of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
The XLogP value of 3.7 indicates that 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 5 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-4,6-dimethylpyridine-3-carbonitrile?
The CAS number of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile is 313976-25-9.
What is the molecular formula of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The molecular formula of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile is C16H13FN2OS.
What is the molecular weight of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The molecular weight of 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile is 300.07 g/mol.
Where can I buy 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
You can request a quote for 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-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-4,6-dimethylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.