4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
TL;DR: 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile (CAS 328113-39-9) is a chemical compound with molecular formula C14H12N2OS2 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
Also Known As: BAS 01178662, 4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile, A2094/0087980, 2-[[2-keto-2-(2-thienyl)ethyl]thio]-4,6-dimethyl-nicotinonitrile, 4,6-dimethyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
| Molecular Formula | C14H12N2OS2 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.0391 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 328113-39-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=CS2)C |
| InChIKey | YKZZBXRNQJRYIP-UHFFFAOYSA-N |
Product Overview
4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile (CAS 328113-39-9), with molecular formula C14H12N2OS2 and molecular weight 288.04 g/mol. IUPAC: 4,6-dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
Property Insights of 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
The XLogP value of 3.6 indicates that 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-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 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile?
The CAS number of 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile is 328113-39-9.
What is the molecular formula of 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile?
The molecular formula of 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile is C14H12N2OS2.
What is the molecular weight of 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile?
The molecular weight of 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile is 288.04 g/mol.
Where can I buy 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile?
You can request a quote for 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.