2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile
TL;DR: 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile (CAS 332114-65-5) is a chemical compound with molecular formula C27H22N2O2S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
Also Known As: 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile, 2-Benzylsulfanyl-4,6-bis-(4-methoxy-phenyl)-nicotinonitrile, BAS 01128236, 2-benzylsulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile, 2-(benzylsulfanyl)-4,6-bis(4-methoxyphenyl)nicotinonitrile
| Molecular Formula | C27H22N2O2S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 6.59678 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.1402 |
| Heavy Atoms | 32 |
| Complexity | 1231.8949 |
Chemical Identifiers
| CAS Number | 332114-65-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC |
Product Overview
2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile (CAS 332114-65-5), with molecular formula C27H22N2O2S and molecular weight 438.14 g/mol. IUPAC: 2-benzylsulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile
Property Insights of 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile
The XLogP value of 6.59678 indicates that 2-(Benzylthio)-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-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)-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-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile?
The CAS number of 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile is 332114-65-5.
What is the molecular formula of 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile?
The molecular formula of 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile is C27H22N2O2S.
What is the molecular weight of 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile?
The molecular weight of 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile is 438.14 g/mol.
Where can I buy 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile?
You can request a quote for 2-(Benzylthio)-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-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-4,6-bis(4-methoxyphenyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.