1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride
TL;DR: 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride (CAS 111897-02-0) is a chemical compound with molecular formula C14H18ClNO2 and molecular weight 267.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-hydroxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one chloride
Also Known As: 2-(4-Oxybenzyl)-3-oxoquinuclidine hydrochloride, 2-((4-Hydroxyphenyl)methyl)-1-azabicyclo(2.2.2)octan-3-one hydrochloride, 1-AZABICYCLO(2.2.2)OCTAN-3-ONE, 2-((4-HYDROXYPHENYL)METHYL)-, HYDROCHLORIDE, 2-(4-hydroxybenzyl)-3-oxo-1-azoniabicyclo[2.2.2]octane chloride, 2-[(4-hydroxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one chloride
Technical Specifications
| Molecular Formula | C14H18ClNO2 |
| Molecular Weight | 267.1026 g/mol |
| XLogP | -2.82 |
| Topological Polar Surface Area (TPSA) | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.1026 Da |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
| SMILES | C1C[NH+]2CCC1C(=O)C2CC3=CC=C(C=C3)O.[Cl-] |
| InChIKey | VOFFFHPNLYVGFH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride
Property Insights of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride
The XLogP value of -2.82 indicates that 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.7 Ų, 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)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-((4-hydroxyphenyl)methyl)-, hydrochloride has 2 hydrogen bond donor(s) and 3 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-((4-hydroxyphenyl)methyl)-, hydrochloride?
The CAS number of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride is 111897-02-0.
What is the molecular formula of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride?
The molecular formula of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride is C14H18ClNO2.
What is the molecular weight of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride?
The molecular weight of 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride is 267.1026 g/mol.
Where can I buy 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride?
You can request a quote for 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)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-((4-hydroxyphenyl)methyl)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-Azabicyclo(2.2.2)octan-3-one, 2-((4-hydroxyphenyl)methyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.