TL;DR: N-{2-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3,4,5-trimethoxybenzamide (CAS 893778-22-8) is a chemical compound with molecular formula C31H38N2O8 and molecular weight 566.2628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3,4,5-trimethoxybenzamide
Also Known As: N-{2-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3,4,5-trimethoxybenzamide, N-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3,4,5-trimethoxybenzamide
| Molecular Formula | C31H38N2O8 |
| Molecular Weight | 566.2628 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 566.2628 Da |
| Heavy Atoms | 41 |
| Complexity | 805.0 |
| SMILES | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3NC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC)OC)OC)OC |
| InChIKey | TVMZRSGJEGXXSE-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that N-{2-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-{2-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3,4,5-trimethoxybenzamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-{2-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3,4,5-trimethoxybenzamide is 893778-22-8.
The molecular formula of N-{2-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3,4,5-trimethoxybenzamide is C31H38N2O8.
The molecular weight of N-{2-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3,4,5-trimethoxybenzamide is 566.2628 g/mol.
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