TL;DR: 1-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline (CAS 1212481-47-4) is a chemical compound with molecular formula C31H35N3O3 and molecular weight 497.26785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: 1-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline, 1-[3-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 1-(3-((6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 1-{3-[(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline, 1H-pyrido[3,4-b]indole, 1-[3-[(3,4-dihydro-6,7-dimethoxy-1-methyl-2(1H)-isoquinolinyl)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-
| Molecular Formula | C31H35N3O3 |
| Molecular Weight | 497.26785 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 58.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.26785 Da |
| Heavy Atoms | 37 |
| Complexity | 753.0 |
| SMILES | CC1C2=CC(=C(C=C2CCN1CC3=C(C=CC(=C3)C4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC)OC |
| InChIKey | FAHCSUHPPAUHAJ-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 1-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 1-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline has 2 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 1-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline is 1212481-47-4.
The molecular formula of 1-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline is C31H35N3O3.
The molecular weight of 1-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline is 497.26785 g/mol.
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