TL;DR: (R)-2-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(1H-indol-3-yl)ethanone (CAS 1212489-13-8) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(1H-indol-3-yl)ethanone
Also Known As: (R)-2-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(1H-indol-3-yl)ethanone, 2-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1H-indol-3-yl)ethanone, 2-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(1H-indol-3-yl)ethanone
| Molecular Formula | C21H22N2O3 |
| Molecular Weight | 350.16306 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.16306 Da |
| Heavy Atoms | 26 |
| Complexity | 513.0 |
| SMILES | C[C@@H]1C2=CC(=C(C=C2CCN1CC(=O)C3=CNC4=CC=CC=C43)O)OC |
| InChIKey | LLVSVKHRBSSHMR-CYBMUJFWSA-N |
The XLogP value of 3.3 indicates that (R)-2-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(1H-indol-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-2-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(1H-indol-3-yl)ethanone. Following Lipinski's Rule of Five, (R)-2-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(1H-indol-3-yl)ethanone has 2 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 (R)-2-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(1H-indol-3-yl)ethanone is 1212489-13-8.
The molecular formula of (R)-2-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(1H-indol-3-yl)ethanone is C21H22N2O3.
The molecular weight of (R)-2-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(1H-indol-3-yl)ethanone is 350.16306 g/mol.
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