TL;DR: (13aS)-5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine (CAS 152490-70-5) is a chemical compound with molecular formula C17H17N and molecular weight 235.1361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Also Known As: (-)-Berbine, Berbine, alpha-berbine, -berbine, 13aalpha-berbine
| Molecular Formula | C17H17N |
| Molecular Weight | 235.1361 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.1361 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | C1CN2CC3=CC=CC=C3C[C@H]2C4=CC=CC=C41 |
| InChIKey | BRLDZKPJJNASGG-KRWDZBQOSA-N |
The XLogP value of 3.4 indicates that (13aS)-5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, (13aS)-5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (13aS)-5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (13aS)-5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine is 152490-70-5.
The molecular formula of (13aS)-5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine is C17H17N.
The molecular weight of (13aS)-5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine is 235.1361 g/mol.
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