2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile
TL;DR: 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile (CAS 328029-77-2) is a chemical compound with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-methoxyphenyl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile
Also Known As: ChemDiv1_005954, BAS 01369720, F0837-0881, 2-amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile, 2-amino-4-(4-methoxyphenyl)-6-[(2-oxocyclohexyl)sulfanyl]pyridine-3,5-dicarbonitrile
| Molecular Formula | C20H18N4O2S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 3.68656 |
| Topological Polar Surface Area | 112.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.11505 |
| Heavy Atoms | 27 |
| Complexity | 957.9177 |
Chemical Identifiers
| CAS Number | 328029-77-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3CCCCC3=O)N)C#N |
Product Overview
2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile (CAS 328029-77-2), with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol. IUPAC: 2-amino-4-(4-methoxyphenyl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile
Property Insights of 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile
The XLogP value of 3.68656 indicates that 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile has 1 hydrogen bond donor(s) and 7 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-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile?
The CAS number of 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile is 328029-77-2.
What is the molecular formula of 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile?
The molecular formula of 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile is C20H18N4O2S.
What is the molecular weight of 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile?
The molecular weight of 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile is 378.12 g/mol.
Where can I buy 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile?
You can request a quote for 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)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-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(4-methoxyphenyl)-6-((2-oxocyclohexyl)thio)pyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.