1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile
TL;DR: 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 79388-04-8) is a chemical compound with molecular formula C13H9N5O and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diamino-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
Also Known As: 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile, 1,2-diamino-6-oxo-4-phenylpyridine-3,5-dicarbonitrile, 1,6-diamino-2-oxo-4-phenyl-1,2-dihydro-3,5-pyridinedicarbonitrile, J3.670.467E, 1,2-Diamino-6-oxo-4-phenyl-pyridine-3,5-dicarbonitrile
| Molecular Formula | C13H9N5O |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.0807 |
| Heavy Atoms | 19 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 79388-04-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)N)N)C#N |
| InChIKey | AMMQDORRHGZHBU-UHFFFAOYSA-N |
Product Overview
1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 79388-04-8), with molecular formula C13H9N5O and molecular weight 251.08 g/mol. IUPAC: 1,2-diamino-6-oxo-4-phenylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile
Property Insights of 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 1,6-Diamino-2-oxo-4-phenyl-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-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile is 79388-04-8.
What is the molecular formula of 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile is C13H9N5O.
What is the molecular weight of 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile is 251.08 g/mol.
Where can I buy 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 1,6-Diamino-2-oxo-4-phenyl-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-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.