![3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide structure](/static/products/300/300834-54-2.png)
3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide
TL;DR: 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide (CAS 300834-54-2) is a chemical compound with molecular formula C21H16N6O and molecular weight 368.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-amino-2-cyano-5-oxo-3-pyridin-3-yl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)pent-1-enylidene]azanide
Also Known As: 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide, 3-carbamoyl-1,1-dicyano-2-(pyridin-3-yl)-3-[4-(pyridin-4-yl)pyridinium-1-yl]propan-1-ide, [5-amino-2-cyano-5-oxo-3-pyridin-3-yl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)pent-1-enylidene]azanide
| Molecular Formula | C21H16N6O |
|---|---|
| Molecular Weight | 368.14 g/mol |
| LogP | 1.93038 |
| Topological Polar Surface Area | 118.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.13855 |
| Heavy Atoms | 28 |
| Complexity | 1051.5598 |
Chemical Identifiers
| CAS Number | 300834-54-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(C(C(=O)N)[N+]2=CC=C(C=C2)C3=CC=NC=C3)C(=C=[N-])C#N |
Product Overview
3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide (CAS 300834-54-2), with molecular formula C21H16N6O and molecular weight 368.14 g/mol. IUPAC: [5-amino-2-cyano-5-oxo-3-pyridin-3-yl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)pent-1-enylidene]azanide.
Chemical Property Profile of 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide
Property Insights of 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide
The XLogP value of 1.93038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide. The TPSA of 118.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide. Following Lipinski's Rule of Five, 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide has 1 hydrogen bond donor(s) and 4 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 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide?
The CAS number of 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide is 300834-54-2.
What is the molecular formula of 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide?
The molecular formula of 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide is C21H16N6O.
What is the molecular weight of 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide?
The molecular weight of 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide is 368.14 g/mol.
Where can I buy 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide?
You can request a quote for 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide?
Yes, KEHONG BIO provides custom synthesis services for 3-([4,4'-bipyridin]-1-ium-1-yl)-4-amino-1,1-dicyano-4-oxo-2-(pyridin-3-yl)butan-1-ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.