TL;DR: (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone (CAS 1212451-27-8) is a chemical compound with molecular formula C23H26N2O4 and molecular weight 394.18927 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-(5-methoxy-1H-indol-3-yl)ethanone
Also Known As: (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone, 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone, 2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
| Molecular Formula | C23H26N2O4 |
| Molecular Weight | 394.18927 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.18927 Da |
| Heavy Atoms | 29 |
| Complexity | 573.0 |
| SMILES | C[C@H]1C2=CC(=C(C=C2CCN1CC(=O)C3=CNC4=C3C=C(C=C4)OC)OC)OC |
| InChIKey | PQYOHRVYXJEZLV-AWEZNQCLSA-N |
The XLogP value of 3.6 indicates that (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone. Following Lipinski's Rule of Five, (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone 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 (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone is 1212451-27-8.
The molecular formula of (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone is C23H26N2O4.
The molecular weight of (S)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone is 394.18927 g/mol.
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