TL;DR: [2-cyano-2-(5-cyano-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)ethenylidene]azanide (CAS 1487951-30-3) is a chemical compound with molecular formula C24H17N5OS and molecular weight 423.1154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-cyano-2-(5-cyano-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)ethenylidene]azanide
Also Known As: [2-cyano-2-(5-cyano-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)ethenylidene]azanide|dicyano(5'-cyano-2'-hydroxy-2'-phenyl-4'-(thiophen-2-yl)-1',2',3',4'-tetrahydro-[1,3'-bipyridin]-1-ium-6'-yl)methanide|dicyano[3-cyano-6-hydroxy-6-phenyl-5-(pyridinium-1-yl)-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]methanide|CHEMBL1470198|STK537388
| Molecular Formula | C24H17N5OS |
| Molecular Weight | 423.1154 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.1154 Da |
| Heavy Atoms | 31 |
| Complexity | 847.0 |
| SMILES | C1=CC=C(C=C1)C2(C(C(C(=C(N2)C(=C=[N-])C#N)C#N)C3=CC=CS3)[N+]4=CC=CC=C4)O |
| InChIKey | WZTPXPWEUVKTTF-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-cyano-2-(5-cyano-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)ethenylidene]azanide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-cyano-2-(5-cyano-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)ethenylidene]azanide. Following Lipinski's Rule of Five, [2-cyano-2-(5-cyano-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)ethenylidene]azanide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [2-cyano-2-(5-cyano-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)ethenylidene]azanide is 1487951-30-3.
The molecular formula of [2-cyano-2-(5-cyano-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)ethenylidene]azanide is C24H17N5OS.
The molecular weight of [2-cyano-2-(5-cyano-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)ethenylidene]azanide is 423.1154 g/mol.
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