TL;DR: (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(2-methyl-1H-indol-3-yl)ethanone (CAS 1212493-20-3) is a chemical compound with molecular formula C23H26N2O3 and molecular weight 378.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
Also Known As: (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(2-methyl-1H-indol-3-yl)ethanone, 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methyl-1H-indol-3-yl)ethanone, 2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
| Molecular Formula | C23H26N2O3 |
| Molecular Weight | 378.19434 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.19434 Da |
| Heavy Atoms | 28 |
| Complexity | 556.0 |
| SMILES | C[C@H]1C2=CC(=C(C=C2CCN1CC(=O)C3=C(NC4=CC=CC=C43)C)OC)OC |
| InChIKey | WWGKRJJALJMHDL-HNNXBMFYSA-N |
The XLogP value of 4.1 indicates that (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(2-methyl-1H-indol-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(2-methyl-1H-indol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(2-methyl-1H-indol-3-yl)ethanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(2-methyl-1H-indol-3-yl)ethanone is 1212493-20-3.
The molecular formula of (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(2-methyl-1H-indol-3-yl)ethanone is C23H26N2O3.
The molecular weight of (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(2-methyl-1H-indol-3-yl)ethanone is 378.19434 g/mol.
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