![2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile structure](/static/products/4428/442872-56-2.webp)
2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
TL;DR: 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CAS 442872-56-2) is a chemical compound with molecular formula C17H14F2N2O2S and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Also Known As: 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile, A2616/0111271, 2-[2-(2,4-Difluoro-phenyl)-2-oxo-ethylsulfanyl]-4-methoxymethyl-6-methyl-nicotinonitrile, 2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile, 2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylnicotinonitrile
| Molecular Formula | C17H14F2N2O2S |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.0744 |
| Heavy Atoms | 24 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 442872-56-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)C2=C(C=C(C=C2)F)F)C#N)COC |
| InChIKey | BTTCOJBHYMKJBR-UHFFFAOYSA-N |
Product Overview
2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CAS 442872-56-2), with molecular formula C17H14F2N2O2S and molecular weight 348.07 g/mol. IUPAC: 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Property Insights of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
The XLogP value of 3.1 indicates that 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has 0 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 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The CAS number of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is 442872-56-2.
What is the molecular formula of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The molecular formula of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is C17H14F2N2O2S.
What is the molecular weight of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The molecular weight of 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is 348.07 g/mol.
Where can I buy 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
You can request a quote for 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-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-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.