4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile
TL;DR: 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile (CAS 312757-89-4) is a chemical compound with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(4-methoxyphenyl)-2-methylsulfanylpyridine-3-carbonitrile
Also Known As: 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile, 4,6-Bis-(4-methoxy-phenyl)-2-methylsulfanyl-nicotinonitrile, BAS 01128255, AE-848/34435008, 4,6-bis(4-methoxyphenyl)-2-methylsulfanylpyridine-3-carbonitrile
| Molecular Formula | C21H18N2O2S |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 5.02638 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.1089 |
| Heavy Atoms | 26 |
| Complexity | 945.48535 |
Chemical Identifiers
| CAS Number | 312757-89-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC)C3=CC=C(C=C3)OC |
Product Overview
4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile (CAS 312757-89-4), with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol. IUPAC: 4,6-bis(4-methoxyphenyl)-2-methylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile
Property Insights of 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile
The XLogP value of 5.02638 indicates that 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile?
The CAS number of 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile is 312757-89-4.
What is the molecular formula of 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile?
The molecular formula of 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile is C21H18N2O2S.
What is the molecular weight of 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile?
The molecular weight of 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile is 362.11 g/mol.
Where can I buy 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile?
You can request a quote for 4,6-Bis(4-methoxyphenyl)-2-(methylthio)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-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(4-methoxyphenyl)-2-(methylthio)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.