TL;DR: 1-Amhn (CAS 111607-81-9) is a chemical compound with molecular formula C12H17N6O3+ and molecular weight 293.1362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methyl-5-nitroimidazol-3-ium-1-yl]ethanol
Also Known As: 1-Amhn, 1-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-4-nitroimidazolium, Hexanoic acid, 4-hydroxy-, butyl ester, (S)-, 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methyl-5-nitroimidazol-3-ium-1-yl]ethanol, 1-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-4-nitro-1H-imidazolium
| Molecular Formula | C12H17N6O3+ |
| Molecular Weight | 293.1362 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.1362 Da |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
| SMILES | CC1=NC=C(C(=N1)N)C[N+]2=C(N(C(=C2)[N+](=O)[O-])CCO)C |
| InChIKey | OFTZXSNXKYDMIL-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that 1-Amhn is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amhn. Following Lipinski's Rule of Five, 1-Amhn has 2 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 1-Amhn is 111607-81-9.
The molecular formula of 1-Amhn is C12H17N6O3+.
The molecular weight of 1-Amhn is 293.1362 g/mol.
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