![1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane structure](/static/products/4814/48146-25-4.webp)
1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane
TL;DR: 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane (CAS 48146-25-4) is a chemical compound with molecular formula C13H19N2+ and molecular weight 203.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane
Also Known As: 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane, 4-benzyl-1-aza-4-azoniabicyclo[2.2.2]octane, SDCCGMLS-0064620.P001, 4-Aza-1-azoniabicyclo[2.2.2]octane, 1-(phenylmethyl)-, 1-Benzyl-1-azonia-4-azabicyclo[2.2.2]octane
| Molecular Formula | C13H19N2+ |
|---|---|
| Molecular Weight | 203.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.15483 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 48146-25-4 |
|---|---|
| SMILES | C1C[N+]2(CCN1CC2)CC3=CC=CC=C3 |
| InChIKey | AQBXOJYDGCYPNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane (CAS 48146-25-4), with molecular formula C13H19N2+ and molecular weight 203.15 g/mol. IUPAC: 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane.
Chemical Property Profile of 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane
Property Insights of 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Benzyl-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-Benzyl-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-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane?
The CAS number of 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane is 48146-25-4.
What is the molecular formula of 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane?
The molecular formula of 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane is C13H19N2+.
What is the molecular weight of 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane?
The molecular weight of 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane is 203.15 g/mol.
Where can I buy 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane?
You can request a quote for 1-Benzyl-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-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-aza-1-azoniabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.