TL;DR: 14-Bromoacetamido-7,8-dihydromorphinone (CAS 126104-23-2) is a chemical compound with molecular formula C19H21BrN2O4 and molecular weight 420.06848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4R,7aS)-9-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-bromoacetamide
Also Known As: 14-Bromoacetamido-7,8-dihydromorphinone, 14-beta-(Bromoacetamido)-7,8-dihydromorphinone, 2-Bromo-N-(3-hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-14-yl)ethanimidic acid, Acetamide, 2-bromo-N-((5alpha)-4,5-epoxy-3-hydroxy-17-methyl-6-oxomorphinan-14-yl)-, Bromo-N-(3-hydroxy-17-methyl-6-oxo-5beta-4,5-epoxymorphinan-14-yl)ethanimidic acid
| Molecular Formula | C19H21BrN2O4 |
| Molecular Weight | 420.06848 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.06848 Da |
| Heavy Atoms | 26 |
| Complexity | 659.0 |
| SMILES | CN1CCC23[C@H]4C(=O)CCC2([C@H]1CC5=C3C(=C(C=C5)O)O4)NC(=O)CBr |
| InChIKey | GASWSISFZKIKGN-GYCZLJAUSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Bromoacetamido-7,8-dihydromorphinone. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Bromoacetamido-7,8-dihydromorphinone. Following Lipinski's Rule of Five, 14-Bromoacetamido-7,8-dihydromorphinone has 2 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 14-Bromoacetamido-7,8-dihydromorphinone is 126104-23-2.
The molecular formula of 14-Bromoacetamido-7,8-dihydromorphinone is C19H21BrN2O4.
The molecular weight of 14-Bromoacetamido-7,8-dihydromorphinone is 420.06848 g/mol.
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