1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
TL;DR: 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 79397-52-7) is a chemical compound with molecular formula C13H8ClN5O and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diamino-4-(4-chlorophenyl)-6-oxopyridine-3,5-dicarbonitrile
Also Known As: J3.670.460H, 1,6-diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile, 1,2-diamino-4-(4-chlorophenyl)-6-oxopyridine-3,5-dicarbonitrile, 1,6-diamino-4-(4-chlorophenyl)-2-oxopyridine-3,5-dicarbonitrile, 1,2-diamino-4-(4-chlorophenyl)-6-oxohydropyridine-3,5-dicarbonitrile
| Molecular Formula | C13H8ClN5O |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 1.20806 |
| Topological Polar Surface Area | 121.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.04175 |
| Heavy Atoms | 20 |
| Complexity | 824.30096 |
Chemical Identifiers
| CAS Number | 79397-52-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)N(C(=C2C#N)N)N)C#N)Cl |
Product Overview
1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 79397-52-7), with molecular formula C13H8ClN5O and molecular weight 285.04 g/mol. IUPAC: 1,2-diamino-4-(4-chlorophenyl)-6-oxopyridine-3,5-dicarbonitrile.
Chemical Property Profile of 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
Property Insights of 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 1.20806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile. The TPSA of 121.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile has 2 hydrogen bond donor(s) and 5 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 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile is 79397-52-7.
What is the molecular formula of 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile is C13H8ClN5O.
What is the molecular weight of 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile is 285.04 g/mol.
Where can I buy 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-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 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Diamino-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.