alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol
TL;DR: alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol (CAS 57734-78-8) is a chemical compound with molecular formula C22H27NO and molecular weight 321.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl-bis(4-methylphenyl)methanol
Also Known As: alpha,alpha-Di-p-tolyl-3-quinuclidinemethanol, 3-Quinuclidinemethanol, alpha,alpha-di-p-tolyl-, Benzhydrol, 4,4'-dimethyl-alpha-(3-quinuclidinyl)-, 5-21-04-00181 (Beilstein Handbook Reference), alpha,alpha-Bis(4-methylphenyl)-3-quinuclidinemethanol
| Molecular Formula | C22H27NO |
|---|---|
| Molecular Weight | 321.21 g/mol |
| LogP | 3.88114 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.20926 |
| Heavy Atoms | 24 |
| Complexity | 650.2547 |
Chemical Identifiers
| CAS Number | 57734-78-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2CN3CCC2CC3)(C4=CC=C(C=C4)C)O |
Product Overview
alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol (CAS 57734-78-8), with molecular formula C22H27NO and molecular weight 321.21 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl-bis(4-methylphenyl)methanol.
Chemical Property Profile of alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol
Property Insights of alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol
The XLogP value of 3.88114 indicates that alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol?
The CAS number of alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol is 57734-78-8.
What is the molecular formula of alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol?
The molecular formula of alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol is C22H27NO.
What is the molecular weight of alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol?
The molecular weight of alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol is 321.21 g/mol.
Where can I buy alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol?
You can request a quote for alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha-Bis(4-methylphenyl)-1-azabicyclo(2.2.2)octane-3-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.