4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile
TL;DR: 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile (CAS 311763-08-3) is a chemical compound with molecular formula C22H16N2OS and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyphenyl)-6-phenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
Also Known As: 4-(2-methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile, A1331/0060175, 4-(2-methoxyphenyl)-6-phenyl-2-(prop-2-ynylsulfanyl)nicotinonitrile, 4-(2-methoxyphenyl)-6-phenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile, 4-(2-METHOXYPHENYL)-6-PHENYL-2-(2-PROPYNYLSULFANYL)-3-PYRIDYL CYANIDE
| Molecular Formula | C22H16N2OS |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 5.02118 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.09833 |
| Heavy Atoms | 26 |
| Complexity | 1000.8862 |
Chemical Identifiers
| CAS Number | 311763-08-3 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC#C)C3=CC=CC=C3 |
Product Overview
4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile (CAS 311763-08-3), with molecular formula C22H16N2OS and molecular weight 356.10 g/mol. IUPAC: 4-(2-methoxyphenyl)-6-phenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile
Property Insights of 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile
The XLogP value of 5.02118 indicates that 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile?
The CAS number of 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile is 311763-08-3.
What is the molecular formula of 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile?
The molecular formula of 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile is C22H16N2OS.
What is the molecular weight of 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile?
The molecular weight of 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile is 356.10 g/mol.
Where can I buy 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile?
You can request a quote for 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methoxyphenyl)-6-phenyl-2-(prop-2-yn-1-ylthio)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.