![1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane structure](/static/products/774/77427-49-7.png)
1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane
TL;DR: 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane (CAS 77427-49-7) is a chemical compound with molecular formula C14H21N2+ and molecular weight 217.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methylphenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane
Also Known As: J2.302.108K, AO-436/40882361, 1-(4-methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane, 1-(4-Methylbenzyl)-1,4-diazabicyclo[2.2.2]octane-1-ium, 1-(4-Methylbenzyl)-1-azonia-4-azabicyclo[2.2.2]octane
| Molecular Formula | C14H21N2+ |
|---|---|
| Molecular Weight | 217.17 g/mol |
| LogP | 1.64102 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.17047 |
| Heavy Atoms | 16 |
| Complexity | 347.05222 |
Chemical Identifiers
| CAS Number | 77427-49-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C[N+]23CCN(CC2)CC3 |
Product Overview
1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane (CAS 77427-49-7), with molecular formula C14H21N2+ and molecular weight 217.17 g/mol. IUPAC: 1-[(4-methylphenyl)methyl]-4-aza-1-azoniabicyclo[2.2.2]octane.
Chemical Property Profile of 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane
Property Insights of 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane
The XLogP value of 1.64102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 3.24 Ų, 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane has 0 hydrogen bond donor(s) and 1 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 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane?
The CAS number of 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane is 77427-49-7.
What is the molecular formula of 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane?
The molecular formula of 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane is C14H21N2+.
What is the molecular weight of 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane?
The molecular weight of 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane is 217.17 g/mol.
Where can I buy 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane?
You can request a quote for 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylbenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.