TL;DR: (4,5-dimethylfuran-2-yl)-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CAS 1212405-43-0) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4,5-dimethylfuran-2-yl)-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Also Known As: (4,5-dimethylfuran-2-yl)-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone, (R)-(4,5-dimethylfuran-2-yl)(6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methanone
| Molecular Formula | C18H21NO4 |
| Molecular Weight | 315.14706 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.14706 Da |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
| SMILES | C[C@@H]1C2=CC(=C(C=C2CCN1C(=O)C3=CC(=C(O3)C)C)O)OC |
| InChIKey | BQBXDBKUCMVAKZ-LLVKDONJSA-N |
The XLogP value of 3.1 indicates that (4,5-dimethylfuran-2-yl)-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,5-dimethylfuran-2-yl)-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone. Following Lipinski's Rule of Five, (4,5-dimethylfuran-2-yl)-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone 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 (4,5-dimethylfuran-2-yl)-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is 1212405-43-0.
The molecular formula of (4,5-dimethylfuran-2-yl)-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is C18H21NO4.
The molecular weight of (4,5-dimethylfuran-2-yl)-[(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is 315.14706 g/mol.
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