TL;DR: RefChem:238177 (CAS 153667-41-5) is a chemical compound with molecular formula C8H14Br2N4O3 and molecular weight 371.94327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol;hydrobromide
Also Known As: PD 144872, RB 6145, 1H-Imidazole-1-ethanol, alpha-(((2-bromoethyl)amino)methyl)-2-nitro-, monohydrobromide, (R)-, (R)-alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol monohydrobromide, (2R)-1-(2-bromoethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol;hydrobromide
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H14Br2N4O3 |
| Molecular Weight | 371.94327 g/mol |
| XLogP | 0.7146 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.94327 Da |
| Heavy Atoms | 17 |
| Complexity | 226.0 |
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])C[C@@H](CNCCBr)O.Br |
| InChIKey | XPBJPGMCFKYBBV-OGFXRTJISA-N |
The XLogP value of 0.7146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:238177. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:238177. Following Lipinski's Rule of Five, RefChem:238177 has 3 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 RefChem:238177 is 153667-41-5.
The molecular formula of RefChem:238177 is C8H14Br2N4O3.
The molecular weight of RefChem:238177 is 371.94327 g/mol.
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