TL;DR: 5-[(2-Hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione (CAS 148839-26-3) is a chemical compound with molecular formula C11H7N3O6 and molecular weight 277.03348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-2,6-dihydroxy-5-(2-hydroxy-3-nitrobenzylidene)pyrimidin-4(5H)-one, 5-(2-hydroxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(2-hydroxy-3-nitro-phenyl)methylidene]-1,3-diazinane-2,4,6-trione, 5-[(2-hydroxy-3-nitrophenyl)methylene]-1,3-dihydropyrimidine-2,4,6-trione
| Molecular Formula | C11H7N3O6 |
| Molecular Weight | 277.03348 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.03348 Da |
| Heavy Atoms | 20 |
| Complexity | 487.0 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=C2C(=O)NC(=O)NC2=O |
| InChIKey | AQJBPFFHRKLHMC-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-Hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 141.0 Ų indicates high polarity, suggesting 5-[(2-Hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-[(2-Hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione 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 5-[(2-Hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione is 148839-26-3.
The molecular formula of 5-[(2-Hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione is C11H7N3O6.
The molecular weight of 5-[(2-Hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione is 277.03348 g/mol.
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