TL;DR: RB 7040 (CAS 105027-76-7) is a chemical compound with molecular formula C12H20N4O3 and molecular weight 268.15353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-nitroimidazol-1-yl)-3-(2,2,3,3-tetramethylaziridin-1-yl)propan-2-ol
Also Known As: RB 7040, 1-(2-nitroimidazol-1-yl)-3-(2,2,3,3-tetramethylaziridin-1-yl)propan-2-ol, 1-(2-nitro-1H-imidazol-1-yl)-3-(2,2,3,3-tetramethylaziridin-1-yl)propan-2-ol, 1H-Imidazole-1-ethanol, 2-nitro-alpha-((2,2,3,3-tetramethyl-1-aziridinyl)methy)-, 1-(2,2,3,3-Tetramethyl-1-aziridinylmethyl)-2-(2-nitro-1H-imidazol-1-yl)ethanol
| Molecular Formula | C12H20N4O3 |
| Molecular Weight | 268.15353 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.15353 Da |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
| SMILES | CC1(C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)(C)C)C |
| InChIKey | WPHMINQWSHFCSD-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RB 7040. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RB 7040. Following Lipinski's Rule of Five, RB 7040 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 RB 7040 is 105027-76-7.
The molecular formula of RB 7040 is C12H20N4O3.
The molecular weight of RB 7040 is 268.15353 g/mol.
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