TL;DR: 5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene (CAS 133933-39-8) is a chemical compound with molecular formula C8H10IN3O3 and molecular weight 322.97668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-5-iodo-1-(2-nitroimidazol-1-yl)pent-4-en-2-ol
Also Known As: Iodovinylmisonidazole, 5-IVM, 5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene, 5- -4-hydroxy-1-iodopent-1-ene, (E)-5-iodo-1-(2-nitroimidazol-1-yl)pent-4-en-2-ol
| Molecular Formula | C8H10IN3O3 |
| Molecular Weight | 322.97668 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.97668 Da |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CC(C/C=C/I)O |
| InChIKey | AMKWMUJLUNEXPP-HNQUOIGGSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene. Following Lipinski's Rule of Five, 5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene is 133933-39-8.
The molecular formula of 5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene is C8H10IN3O3.
The molecular weight of 5-(2-Nitroimidazolyl)-4-hydroxy-1-iodopent-1-ene is 322.97668 g/mol.
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