2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile
TL;DR: 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile (CAS 332114-76-8) is a chemical compound with molecular formula C31H30N2O2S and molecular weight 494.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
Also Known As: 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile, BAS 01128250, 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile, 2-(4-tert-Butyl-benzylsulfanyl)-4,6-bis-(4-methoxy-phenyl)-nicotinonitrile, 2-[(4-tert-butylbenzyl)sulfanyl]-4,6-bis(4-methoxyphenyl)nicotinonitrile
| Molecular Formula | C31H30N2O2S |
|---|---|
| Molecular Weight | 494.20 g/mol |
| LogP | 7.89428 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.2028 |
| Heavy Atoms | 36 |
| Complexity | 1365.2423 |
Chemical Identifiers
| CAS Number | 332114-76-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C#N |
Product Overview
2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile (CAS 332114-76-8), with molecular formula C31H30N2O2S and molecular weight 494.20 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile
Property Insights of 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile
The XLogP value of 7.89428 indicates that 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)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, 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)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 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile?
The CAS number of 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile is 332114-76-8.
What is the molecular formula of 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile?
The molecular formula of 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile is C31H30N2O2S.
What is the molecular weight of 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile?
The molecular weight of 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile is 494.20 g/mol.
Where can I buy 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile?
You can request a quote for 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(tert-Butyl)benzyl)thio)-4,6-bis(4-methoxyphenyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.