1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
TL;DR: 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 680215-01-4) is a chemical compound with molecular formula C15H13N5O3 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-diamino-4-(3,4-dimethoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile
Also Known As: 1,6-diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile, 1,2-diamino-4-(3,4-dimethoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile, 1,2-diamino-4-(3,4-dimethoxyphenyl)-6-oxo-pyridine-3,5-dicarbonitrile, 1,2-diamino-4-(3,4-dimethoxyphenyl)-6-oxohydropyridine-3,5-dicarbonitrile
| Molecular Formula | C15H13N5O3 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 0.57186 |
| Topological Polar Surface Area | 140.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.10184 |
| Heavy Atoms | 23 |
| Complexity | 918.66565 |
Chemical Identifiers
| CAS Number | 680215-01-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=O)N(C(=C2C#N)N)N)C#N)OC |
Product Overview
1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 680215-01-4), with molecular formula C15H13N5O3 and molecular weight 311.10 g/mol. IUPAC: 1,2-diamino-4-(3,4-dimethoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile.
Chemical Property Profile of 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
Property Insights of 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 0.57186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile. The TPSA of 140.08 Ų indicates high polarity, suggesting 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-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 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile is 680215-01-4.
What is the molecular formula of 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile is C15H13N5O3.
What is the molecular weight of 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile is 311.10 g/mol.
Where can I buy 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 1,6-Diamino-4-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Diamino-4-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.