TL;DR: 1(2H)-Phthalazinone, 8-hydroxy-4-methyl- (CAS 16676-85-0) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-hydroxy-4-methyl-2H-phthalazin-1-one
Also Known As: 1(2H)-Phthalazinone, 8-hydroxy-4-methyl-, 8-hydroxy-4-methyl-2H-phthalazin-1-one, 8-Hydroxy-4-methyl-1(2H)-phthalazinone, 8-Hydroxy-4-methylphthalazin-1(2H)-one, 5-25-02-00027 (Beilstein Handbook Reference)
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.05858 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05858 Da |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
| SMILES | CC1=NNC(=O)C2=C1C=CC=C2O |
| InChIKey | ANUQVSBPJJQLSL-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Phthalazinone, 8-hydroxy-4-methyl-. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(2H)-Phthalazinone, 8-hydroxy-4-methyl-. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 8-hydroxy-4-methyl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1(2H)-Phthalazinone, 8-hydroxy-4-methyl- is 16676-85-0.
The molecular formula of 1(2H)-Phthalazinone, 8-hydroxy-4-methyl- is C9H8N2O2.
The molecular weight of 1(2H)-Phthalazinone, 8-hydroxy-4-methyl- is 176.05858 g/mol.
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