![4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile structure](/static/products/3030/303017-52-9.webp)
4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile
TL;DR: 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile (CAS 303017-52-9) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile
Also Known As: BAS 00635036, 4,5,6-trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile, AB00076099-01, 4,5,6-trimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}nicotinonitrile, 4,5,6-trimethyl-2-((2-oxo-2-(p-tolyl)ethyl)thio)nicotinonitrile
| Molecular Formula | C18H18N2OS |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.16196 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.11398 |
| Heavy Atoms | 22 |
| Complexity | 758.13715 |
Chemical Identifiers
| CAS Number | 303017-52-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=C(C(=C(C(=N2)C)C)C)C#N |
Product Overview
4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile (CAS 303017-52-9), with molecular formula C18H18N2OS and molecular weight 310.11 g/mol. IUPAC: 4,5,6-trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile
Property Insights of 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile
The XLogP value of 4.16196 indicates that 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-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, 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-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 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile?
The CAS number of 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile is 303017-52-9.
What is the molecular formula of 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile?
The molecular formula of 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile is C18H18N2OS.
What is the molecular weight of 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile?
The molecular weight of 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile is 310.11 g/mol.
Where can I buy 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile?
You can request a quote for 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]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 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-Trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.