2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
TL;DR: 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile (CAS 312758-01-3) is a chemical compound with molecular formula C22H18N2OS and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-6-phenyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
Also Known As: 2-(allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile, BAS 00635190, 4-(4-methoxyphenyl)-6-phenyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile, AE-848/34408042, 4-(4-methoxyphenyl)-6-phenyl-2-(prop-2-en-1-ylsulfanyl)pyridine-3-carbonitrile
| Molecular Formula | C22H18N2OS |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 5.57398 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.11398 |
| Heavy Atoms | 26 |
| Complexity | 944.3714 |
Chemical Identifiers
| CAS Number | 312758-01-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC=C)C3=CC=CC=C3 |
Product Overview
2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile (CAS 312758-01-3), with molecular formula C22H18N2OS and molecular weight 358.11 g/mol. IUPAC: 4-(4-methoxyphenyl)-6-phenyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
Property Insights of 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
The XLogP value of 5.57398 indicates that 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile 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 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The CAS number of 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is 312758-01-3.
What is the molecular formula of 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The molecular formula of 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is C22H18N2OS.
What is the molecular weight of 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The molecular weight of 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is 358.11 g/mol.
Where can I buy 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
You can request a quote for 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.