TL;DR: Lupinane der (CAS 150359-09-4) is a chemical compound with molecular formula C27H33F3N4 and molecular weight 470.26572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
Also Known As: Lupinane der, 2H-Quinolizine-1-methanamine, N-(2,3-dimethyl-4-((3-(trifluoromethyl)phenyl)azo)phenyl)octahydro-, (1R-trans)-, 2H-Quinolizine-1-methanamine, N-[2,3-dimethyl-4-[[3-(trifluoromethyl)phenyl]azo]phenyl]octahydro-, (1R-trans)-, N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]-5,6,7,8-tetrahydronaphthalen-1-amine, N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-8-[(E)-[3-(trifluoromethyl)phenyl]azo]tetralin-5-amine
| Molecular Formula | C27H33F3N4 |
| Molecular Weight | 470.26572 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.26572 Da |
| Heavy Atoms | 34 |
| Complexity | 683.0 |
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)CNC3=C4CCCCC4=C(C=C3)N=NC5=CC=CC(=C5)C(F)(F)F |
| InChIKey | HCOWUAFXTHSHPE-AFMDSPMNSA-N |
The XLogP value of 7.6 indicates that Lupinane der is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.0 Ų, Lupinane der exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lupinane der has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Lupinane der is 150359-09-4.
The molecular formula of Lupinane der is C27H33F3N4.
The molecular weight of Lupinane der is 470.26572 g/mol.
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