TL;DR: Morpholine, 4-(2-(2-(2-methyl-1-propenyl)-5-nitro-1H-imidazol-1-yl)ethyl)- (CAS 141363-24-8) is a chemical compound with molecular formula C13H20N4O3 and molecular weight 280.15353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[2-(2-methylprop-1-enyl)-5-nitroimidazol-1-yl]ethyl]morpholine
Also Known As: Morpholine, 4-(2-(2-(2-methyl-1-propenyl)-5-nitro-1H-imidazol-1-yl)ethyl)-, 4-(2-(2-(2-Methyl-1-propenyl)-5-nitro-1H-imidazol-1-yl)ethyl)morpholine, 4-[2-[2-(2-methylprop-1-enyl)-5-nitroimidazol-1-yl]ethyl]mor, 4-[2-[2-(2-methylprop-1-enyl)-5-nitroimidazol-1-yl]ethyl]morpholine, 4-{2-[2-(2-Methylprop-1-en-1-yl)-5-nitro-1H-imidazol-1-yl]ethyl}morpholine
| Molecular Formula | C13H20N4O3 |
| Molecular Weight | 280.15353 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.15353 Da |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
| SMILES | CC(=CC1=NC=C(N1CCN2CCOCC2)[N+](=O)[O-])C |
| InChIKey | AQHSQELCILVCBO-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 4-(2-(2-(2-methyl-1-propenyl)-5-nitro-1H-imidazol-1-yl)ethyl)-. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Morpholine, 4-(2-(2-(2-methyl-1-propenyl)-5-nitro-1H-imidazol-1-yl)ethyl)-. Following Lipinski's Rule of Five, Morpholine, 4-(2-(2-(2-methyl-1-propenyl)-5-nitro-1H-imidazol-1-yl)ethyl)- has 0 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 Morpholine, 4-(2-(2-(2-methyl-1-propenyl)-5-nitro-1H-imidazol-1-yl)ethyl)- is 141363-24-8.
The molecular formula of Morpholine, 4-(2-(2-(2-methyl-1-propenyl)-5-nitro-1H-imidazol-1-yl)ethyl)- is C13H20N4O3.
The molecular weight of Morpholine, 4-(2-(2-(2-methyl-1-propenyl)-5-nitro-1H-imidazol-1-yl)ethyl)- is 280.15353 g/mol.
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