TL;DR: N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide (CAS 63958-44-1) is a chemical compound with molecular formula C9H12N4O5 and molecular weight 256.08078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-acetyloxyethyl)-1-(3-methyl-2-nitroimidazol-4-yl)methanimine oxide
Also Known As: N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide
| Molecular Formula | C9H12N4O5 |
| Molecular Weight | 256.08078 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.08078 Da |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
| SMILES | CC(=O)OCC[N+](=CC1=CN=C(N1C)[N+](=O)[O-])[O-] |
| InChIKey | XVMSCXOCZHMJPY-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide. Following Lipinski's Rule of Five, N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide is 63958-44-1.
The molecular formula of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide is C9H12N4O5.
The molecular weight of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide is 256.08078 g/mol.
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