TL;DR: [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride (CAS 121347-31-7) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,5-dimethoxyphenyl)-2-hydroxyiminopropan-1-one
Also Known As: Methoxamine Impurity 16, 1-(2,5-Dimethoxyphenyl)-2-hydroxyiminopropan-1-one, 2',5'-Dimethoxy-a-oximinopropiophenone, [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride, 1,2-Propanedione,1-(2,5-dimethoxyphenyl)-, 2-oxime
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.08446 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.08446 Da |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
| SMILES | CC(=NO)C(=O)C1=C(C=CC(=C1)OC)OC |
| InChIKey | CLMOUULSNFEJKR-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride. Following Lipinski's Rule of Five, [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride has 1 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 [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride is 121347-31-7.
The molecular formula of [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride is C11H13NO4.
The molecular weight of [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride is 223.08446 g/mol.
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