TL;DR: 3H-Imidazo(4,5-f)quinoxaline-8-methanol, 2-amino-3-methyl-5-(sulfooxy)- (CAS 130146-77-9) is a chemical compound with molecular formula C11H11N5O5S and molecular weight 325.0481 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-amino-8-(hydroxymethyl)-3-methylimidazo[4,5-f]quinoxalin-5-yl] hydrogen sulfate
Also Known As: 3H-Imidazo(4,5-f)quinoxaline-8-methanol, 2-amino-3-methyl-5-(sulfooxy)-, [2-amino-8-(hydroxymethyl)-3-methyl-3H-imidazo[4,5-f]quinoxalin-5-yl]oxidanesulfonic acid, [2-amino-8-(hydroxymethyl)-3-methylimidazo[4,5-f]quinoxalin-5-yl] hydrogen sulfate, 2-Amino-8-(hydroxymethyl)-3-methyl-3H-imidazo[4,5-f]quinoxalin-5-yl hydrogen sulfate, 2-Amino-8-hydroxymethyl-3-methyl-3H-imidazo[4,5-f]quinoxalin-5-ol 5-sulfate
| Molecular Formula | C11H11N5O5S |
| Molecular Weight | 325.0481 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0481 Da |
| Heavy Atoms | 22 |
| Complexity | 513.0 |
| SMILES | CN1C2=CC(=C3C(=C2N=C1N)N=C(C=N3)CO)OS(=O)(=O)O |
| InChIKey | OIPDFNJLXGXDGG-UHFFFAOYSA-N |
The XLogP value of -1.4 indicates that 3H-Imidazo(4,5-f)quinoxaline-8-methanol, 2-amino-3-methyl-5-(sulfooxy)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting 3H-Imidazo(4,5-f)quinoxaline-8-methanol, 2-amino-3-methyl-5-(sulfooxy)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3H-Imidazo(4,5-f)quinoxaline-8-methanol, 2-amino-3-methyl-5-(sulfooxy)- has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3H-Imidazo(4,5-f)quinoxaline-8-methanol, 2-amino-3-methyl-5-(sulfooxy)- is 130146-77-9.
The molecular formula of 3H-Imidazo(4,5-f)quinoxaline-8-methanol, 2-amino-3-methyl-5-(sulfooxy)- is C11H11N5O5S.
The molecular weight of 3H-Imidazo(4,5-f)quinoxaline-8-methanol, 2-amino-3-methyl-5-(sulfooxy)- is 325.0481 g/mol.
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