TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy- (CAS 52759-09-8) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Also Known As: 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline, 5,6-dimethoxytetrahydroisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-, 1,2,3,4-tetrahydro-5,6-dimethoxyisoquinoline, 1,2,3,4-tetrahydro-5,6-diMethoxy-Isoquinoline
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.11028 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 Da |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
| SMILES | COC1=C(C2=C(CNCC2)C=C1)OC |
| InChIKey | KRSWPODJYNXIJP-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-. With a topological polar surface area (TPSA) of 30.5 Ų, Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy- is 52759-09-8.
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy- is C11H15NO2.
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy- is 193.11028 g/mol.
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