TL;DR: (1R-CIS)-9,10-DIMETHOXY-2-METHYL-1,6,7,11B-TETRAHYDRO-2H-BENZOQUINOLIZINE-3-CARBOXALDEHYDE (CAS 154819-52-0) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,10-dimethoxy-2-methyl-2,6,7,11b-tetrahydro-1H-benzo[a]quinolizine-3-carbaldehyde
Also Known As: (1R-CIS)-9,10-DIMETHOXY-2-METHYL-1,6,7,11B-TETRAHYDRO-2H-BENZOQUINOLIZINE-3-CARBOXALDEHYDE, 9,10-dimethoxy-2-methyl-2,6,7,11b-tetrahydro-1H-benzo[a]quinolizine-3-carbaldehyde
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.15213 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.15213 Da |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
| SMILES | CC1CC2C3=CC(=C(C=C3CCN2C=C1C=O)OC)OC |
| InChIKey | UNVIRAJJRSKZKJ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R-CIS)-9,10-DIMETHOXY-2-METHYL-1,6,7,11B-TETRAHYDRO-2H-BENZOQUINOLIZINE-3-CARBOXALDEHYDE. With a topological polar surface area (TPSA) of 38.8 Ų, (1R-CIS)-9,10-DIMETHOXY-2-METHYL-1,6,7,11B-TETRAHYDRO-2H-BENZOQUINOLIZINE-3-CARBOXALDEHYDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R-CIS)-9,10-DIMETHOXY-2-METHYL-1,6,7,11B-TETRAHYDRO-2H-BENZOQUINOLIZINE-3-CARBOXALDEHYDE has 0 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 (1R-CIS)-9,10-DIMETHOXY-2-METHYL-1,6,7,11B-TETRAHYDRO-2H-BENZOQUINOLIZINE-3-CARBOXALDEHYDE is 154819-52-0.
The molecular formula of (1R-CIS)-9,10-DIMETHOXY-2-METHYL-1,6,7,11B-TETRAHYDRO-2H-BENZOQUINOLIZINE-3-CARBOXALDEHYDE is C17H21NO3.
The molecular weight of (1R-CIS)-9,10-DIMETHOXY-2-METHYL-1,6,7,11B-TETRAHYDRO-2H-BENZOQUINOLIZINE-3-CARBOXALDEHYDE is 287.15213 g/mol.
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