TL;DR: 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline (CAS 121064-15-1) is a chemical compound with molecular formula C14H19NO2 and molecular weight 233.14159 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-1,3,3-trimethyl-4H-isoquinoline
Also Known As: 6,7-dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline, 6,7-dimethoxy-1,3,3-trimethyl-4H-isoquinoline, BAS 00329600, BIM-0022286.P001, Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1,3,3-trimethyl-
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.14159 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.14159 Da |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
| SMILES | CC1=NC(CC2=CC(=C(C=C12)OC)OC)(C)C |
| InChIKey | GHDJZAVHDPGMGK-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline. With a topological polar surface area (TPSA) of 30.8 Ų, 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline has 0 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 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline is 121064-15-1.
The molecular formula of 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline is C14H19NO2.
The molecular weight of 6,7-Dimethoxy-1,3,3-trimethyl-3,4-dihydroisoquinoline is 233.14159 g/mol.
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