TL;DR: 2H-Quinolizine, octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-, (1R-trans)- (CAS 156171-04-9) is a chemical compound with molecular formula C19H26N2S and molecular weight 314.18167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,9aR)-1-(1H-indol-3-ylmethylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Also Known As: (1R-trans)-Octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-2H-quinolizine, 2H-Quinolizine, octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-, (1R-trans)-, 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methyl)octahydro-2H-quinolizine, (1R,9aR)-1-({[(1H-indol-3-yl)methyl]sulfanyl}methyl)-octahydro-1H-quinolizine, (1R,9aR)-1-({[(1H-Indol-3-yl)methyl]sulfanyl}methyl)octahydro-2H-quinolizine
| Molecular Formula | C19H26N2S |
| Molecular Weight | 314.18167 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 44.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.18167 Da |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)CSCC3=CNC4=CC=CC=C43 |
| InChIKey | BLAXOVPLDZUZIE-HNAYVOBHSA-N |
The XLogP value of 4.2 indicates that 2H-Quinolizine, octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-, (1R-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, 2H-Quinolizine, octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-, (1R-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Quinolizine, octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-, (1R-trans)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-Quinolizine, octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-, (1R-trans)- is 156171-04-9.
The molecular formula of 2H-Quinolizine, octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-, (1R-trans)- is C19H26N2S.
The molecular weight of 2H-Quinolizine, octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-, (1R-trans)- is 314.18167 g/mol.
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