TL;DR: 2-(3-Bromo-1-adamantyl)-2-hydroxyiminoethanol (CAS 66386-28-5) is a chemical compound with molecular formula C12H18BrNO2 and molecular weight 287.0521 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-bromo-1-adamantyl)-2-hydroxyiminoethanol
Also Known As: 1-Bromo-3-adamantyl hydroxymethyl ketone oxime, Ethanone, 1-(1-bromo-3-adamantyl)-2-hydroxy-, oxime, KETONE, 1-BROMO-3-ADAMANTYL HYDROXYMETHYL, OXIME, 3-Adamantanecarboxaldehyde, 1-bromo-alpha-(hydroxymethyl)-, oxime
| Molecular Formula | C12H18BrNO2 |
| Molecular Weight | 287.0521 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.0521 Da |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
| SMILES | C1C2CC3(CC1CC(C2)(C3)Br)C(=NO)CO |
| InChIKey | KGZZLOGRMZBYFJ-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Bromo-1-adamantyl)-2-hydroxyiminoethanol. With a topological polar surface area (TPSA) of 52.8 Ų, 2-(3-Bromo-1-adamantyl)-2-hydroxyiminoethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromo-1-adamantyl)-2-hydroxyiminoethanol 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 2-(3-Bromo-1-adamantyl)-2-hydroxyiminoethanol is 66386-28-5.
The molecular formula of 2-(3-Bromo-1-adamantyl)-2-hydroxyiminoethanol is C12H18BrNO2.
The molecular weight of 2-(3-Bromo-1-adamantyl)-2-hydroxyiminoethanol is 287.0521 g/mol.
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