2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile
TL;DR: 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile (CAS 402953-67-7) is a chemical compound with molecular formula C20H20N4S and molecular weight 348.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile
Also Known As: AB00672859-01, 2-amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile, 2-amino-6-(benzylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile, 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile, F0894-0074
| Molecular Formula | C20H20N4S |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.14087 |
| Heavy Atoms | 25 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 402953-67-7 |
|---|---|
| SMILES | C1CCC(CC1)C2=C(C(=NC(=C2C#N)SCC3=CC=CC=C3)N)C#N |
| InChIKey | FIEPIIXZVPVKOB-UHFFFAOYSA-N |
Product Overview
2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile (CAS 402953-67-7), with molecular formula C20H20N4S and molecular weight 348.14 g/mol. IUPAC: 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile
Property Insights of 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile
The XLogP value of 5.4 indicates that 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile has 1 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-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile?
The CAS number of 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile is 402953-67-7.
What is the molecular formula of 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile?
The molecular formula of 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile is C20H20N4S.
What is the molecular weight of 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile?
The molecular weight of 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile is 348.14 g/mol.
Where can I buy 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile?
You can request a quote for 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-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-cyclohexylpyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-(benzylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.