![6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile structure](/static/products/5636/5636-29-3.webp)
6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile
TL;DR: 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile (CAS 5636-29-3) 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.
6-(2-methylpropyl)-2-phenacylsulfanylpyridine-3-carbonitrile
Also Known As: 6-(2-methylpropyl)-2-phenacylsulfanylpyridine-3-carbonitrile, 6-(2-methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile, AB00091439-01, 6-(2-methylpropyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile
| Molecular Formula | C18H18N2OS |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.12678 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.11398 |
| Heavy Atoms | 22 |
| Complexity | 689.9785 |
Chemical Identifiers
| CAS Number | 5636-29-3 |
|---|---|
| SMILES | CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=CC=C2 |
Product Overview
6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile (CAS 5636-29-3), with molecular formula C18H18N2OS and molecular weight 310.11 g/mol. IUPAC: 6-(2-methylpropyl)-2-phenacylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile
Property Insights of 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile
The XLogP value of 4.12678 indicates that 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-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, 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-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 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile?
The CAS number of 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile is 5636-29-3.
What is the molecular formula of 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile?
The molecular formula of 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile is C18H18N2OS.
What is the molecular weight of 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile?
The molecular weight of 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile is 310.11 g/mol.
Where can I buy 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile?
You can request a quote for 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Methylpropyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.