TL;DR: (18F)Fluoromisonidazole (CAS 104613-87-8) is a chemical compound with molecular formula C6H8FN3O3 and molecular weight 188.05751 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(18F)fluoro-3-(2-nitroimidazol-1-yl)propan-2-ol
Also Known As: Fluoromisonidazole F-18, 18F-Miso, (18F)Fluoromisonidazole, Miso F-18, Fluoromisonidazole
| Molecular Formula | C6H8FN3O3 |
| Molecular Weight | 188.05751 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.05751 Da |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CC(C[18F])O |
| InChIKey | HIIJZYSUEJYLMX-JZRMKITLSA-N |
The XLogP value of -0.5 indicates that (18F)Fluoromisonidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (18F)Fluoromisonidazole. Following Lipinski's Rule of Five, (18F)Fluoromisonidazole has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (18F)Fluoromisonidazole is 104613-87-8.
The molecular formula of (18F)Fluoromisonidazole is C6H8FN3O3.
The molecular weight of (18F)Fluoromisonidazole is 188.05751 g/mol.
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