TL;DR: 4-(2,2-Diphenylhydrazinyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid (CAS 1042693-65-1) is a chemical compound with molecular formula C22H22N4O3 and molecular weight 390.1692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,2-diphenylhydrazinyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
Also Known As: VU0512740-1, F3177-0002, 4-(2,2-diphenylhydrazinyl)-4-oxo-2-((pyridin-3-ylmethyl)amino)butanoic acid, 4-(2,2-diphenylhydrazinyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid, 3-(N',N'-diphenylhydrazinecarbonyl)-2-{[(pyridin-3-yl)methyl]amino}propanoic acid
| Molecular Formula | C22H22N4O3 |
| Molecular Weight | 390.1692 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 94.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 390.1692 Da |
| Heavy Atoms | 29 |
| Complexity | 500.0 |
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)NC(=O)CC(C(=O)O)NCC3=CN=CC=C3 |
| InChIKey | ORXADVLOWGUGAB-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2-Diphenylhydrazinyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,2-Diphenylhydrazinyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid. Following Lipinski's Rule of Five, 4-(2,2-Diphenylhydrazinyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid has 3 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 4-(2,2-Diphenylhydrazinyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is 1042693-65-1.
The molecular formula of 4-(2,2-Diphenylhydrazinyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is C22H22N4O3.
The molecular weight of 4-(2,2-Diphenylhydrazinyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is 390.1692 g/mol.
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