2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
TL;DR: 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile (CAS 221178-97-8) is a chemical compound with molecular formula C20H14N4OS and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
Also Known As: ChemDiv1_005833, BAS 00635297, NCI60_038235, 2-amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile, 2-amino-6-(benzylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
| Molecular Formula | C20H14N4OS |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.08884 |
| Heavy Atoms | 26 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 221178-97-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)O)C#N |
| InChIKey | IFPNWUPLRFRCRO-UHFFFAOYSA-N |
Product Overview
2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile (CAS 221178-97-8), with molecular formula C20H14N4OS and molecular weight 358.09 g/mol. IUPAC: 2-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
Property Insights of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
The XLogP value of 4.1 indicates that 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The CAS number of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile is 221178-97-8.
What is the molecular formula of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The molecular formula of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile is C20H14N4OS.
What is the molecular weight of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The molecular weight of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile is 358.09 g/mol.
Where can I buy 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
You can request a quote for 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.