2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
TL;DR: 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile (CAS 208254-31-3) is a chemical compound with molecular formula C21H12BrFN4OS and molecular weight 465.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
Also Known As: 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile, 2-amino-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile, 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile, 2-amino-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
| Molecular Formula | C21H12BrFN4OS |
|---|---|
| Molecular Weight | 465.99 g/mol |
| LogP | 4.95076 |
| Topological Polar Surface Area | 103.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.98993 |
| Heavy Atoms | 29 |
| Complexity | 1183.0111 |
Chemical Identifiers
| CAS Number | 208254-31-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N |
Product Overview
2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile (CAS 208254-31-3), with molecular formula C21H12BrFN4OS and molecular weight 465.99 g/mol. IUPAC: 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
Property Insights of 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
The XLogP value of 4.95076 indicates that 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile has 1 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-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile?
The CAS number of 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile is 208254-31-3.
What is the molecular formula of 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile?
The molecular formula of 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile is C21H12BrFN4OS.
What is the molecular weight of 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile?
The molecular weight of 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile is 465.99 g/mol.
Where can I buy 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile?
You can request a quote for 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)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-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.