![4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile structure](/static/products/4421/442153-07-3.webp)
4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile
TL;DR: 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile (CAS 442153-07-3) is a chemical compound with molecular formula C14H16N2OS and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-(2-oxocyclohexyl)sulfanylpyridine-3-carbonitrile
Also Known As: ChemDiv3_002902, BAS 03395439, 4,6-dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile, 4,6-dimethyl-2-(2-oxocyclohexyl)sulfanylpyridine-3-carbonitrile, AP-906/43238744
| Molecular Formula | C14H16N2OS |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 3.17392 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.09833 |
| Heavy Atoms | 18 |
| Complexity | 519.2607 |
Chemical Identifiers
| CAS Number | 442153-07-3 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SC2CCCCC2=O)C |
Product Overview
4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile (CAS 442153-07-3), with molecular formula C14H16N2OS and molecular weight 260.10 g/mol. IUPAC: 4,6-dimethyl-2-(2-oxocyclohexyl)sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile
Property Insights of 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile
The XLogP value of 3.17392 indicates that 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile 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 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile?
The CAS number of 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile is 442153-07-3.
What is the molecular formula of 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile?
The molecular formula of 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile is C14H16N2OS.
What is the molecular weight of 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile?
The molecular weight of 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile is 260.10 g/mol.
Where can I buy 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile?
You can request a quote for 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile 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-oxocyclohexyl)thio]nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-[(2-oxocyclohexyl)thio]nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.