1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride
TL;DR: 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride (CAS 103660-57-7) is a chemical compound with molecular formula C16H22ClNO3 and molecular weight 311.1288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,4-dimethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one chloride
Also Known As: 2-(3,4-Dimethoxybenzylidene)-3-oxyquinuclidine hydrochloride, 2-((3,4-Dimethoxyphenyl)methyl)-1-azabicyclo(2.2.2)octan-3-one hydrochloride, 1-AZABICYCLO(2.2.2)OCTAN-3-ONE, 2-((3,4-DIMETHOXYPHENYL)METHYL)-, HYDROCHLORIDE, 2-(3,4-dimethoxybenzyl)-3-oxo-1-azoniabicyclo[2.2.2]octane chloride, 2-[(3,4-dimethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one chloride
Technical Specifications
| Molecular Formula | C16H22ClNO3 |
| Molecular Weight | 311.1288 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1288 Da |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
| SMILES | COC1=C(C=C(C=C1)CC2C(=O)C3CC[NH+]2CC3)OC.[Cl-] |
| InChIKey | KDYDWTPNMWTMDG-UHFFFAOYSA-N |
Chemical Property Profile of 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride
Property Insights of 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride
The XLogP value of -2.5 indicates that 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride?
The CAS number of 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride is 103660-57-7.
What is the molecular formula of 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride?
The molecular formula of 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride is C16H22ClNO3.
What is the molecular weight of 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride?
The molecular weight of 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride is 311.1288 g/mol.
Where can I buy 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride?
You can request a quote for 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.