2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
TL;DR: 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile (CAS 221179-04-0) is a chemical compound with molecular formula C21H13ClN4O2S and molecular weight 420.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
Also Known As: 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile, 2-amino-6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile, 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile, 2-amino-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
| Molecular Formula | C21H13ClN4O2S |
|---|---|
| Molecular Weight | 420.04 g/mol |
| LogP | 4.40816 |
| Topological Polar Surface Area | 123.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.04477 |
| Heavy Atoms | 29 |
| Complexity | 1181.0111 |
Chemical Identifiers
| CAS Number | 221179-04-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N |
Product Overview
2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile (CAS 221179-04-0), with molecular formula C21H13ClN4O2S and molecular weight 420.04 g/mol. IUPAC: 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
Property Insights of 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
The XLogP value of 4.40816 indicates that 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile has 2 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-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The CAS number of 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile is 221179-04-0.
What is the molecular formula of 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The molecular formula of 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile is C21H13ClN4O2S.
What is the molecular weight of 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The molecular weight of 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile is 420.04 g/mol.
Where can I buy 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
You can request a quote for 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-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-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.