TL;DR: 1-Azabicyclo(2.2.2)octan-3-ol, 2-(1H-indol-3-ylphenylmethyl)-, monohydrochloride (CAS 102338-78-3) is a chemical compound with molecular formula C22H25ClN2O and molecular weight 368.16553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1H-indol-3-yl(phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
Also Known As: 2-(alpha-(3-Indolyl)benzyl)-3-quinuclidinol hydrochloride, 2-((3'-Indolyl)benzyl)-3-hydroxyquinuclidine hydrochloride, 1-Azabicyclo(2.2.2)octan-3-ol, 2-(1H-indol-3-ylphenylmethyl)-, monohydrochloride, 3-Quinuclidinol, 2-(alpha-(3-indolyl)benzyl)-, monohydrochloride, 1-Azabicyclo(2.2.2)octan-3-ol, 2-(1H-indol-3-ylphenylmethyl)-, monohydrochloride (9CI)
| Molecular Formula | C22H25ClN2O |
| Molecular Weight | 368.16553 g/mol |
| XLogP | 4.1767 |
| Topological Polar Surface Area (TPSA) | 39.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.16553 Da |
| Heavy Atoms | 26 |
| Complexity | 455.0 |
| SMILES | C1CN2CCC1C(C2C(C3=CC=CC=C3)C4=CNC5=CC=CC=C54)O.Cl |
| InChIKey | VIPGZQKRCCUKNL-UHFFFAOYSA-N |
The XLogP value of 4.1767 indicates that 1-Azabicyclo(2.2.2)octan-3-ol, 2-(1H-indol-3-ylphenylmethyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, 1-Azabicyclo(2.2.2)octan-3-ol, 2-(1H-indol-3-ylphenylmethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo(2.2.2)octan-3-ol, 2-(1H-indol-3-ylphenylmethyl)-, monohydrochloride has 3 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 1-Azabicyclo(2.2.2)octan-3-ol, 2-(1H-indol-3-ylphenylmethyl)-, monohydrochloride is 102338-78-3.
The molecular formula of 1-Azabicyclo(2.2.2)octan-3-ol, 2-(1H-indol-3-ylphenylmethyl)-, monohydrochloride is C22H25ClN2O.
The molecular weight of 1-Azabicyclo(2.2.2)octan-3-ol, 2-(1H-indol-3-ylphenylmethyl)-, monohydrochloride is 368.16553 g/mol.
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