Benzylquinuclidinium
TL;DR: Benzylquinuclidinium (CAS 42790-41-0) is a chemical compound with molecular formula C14H20N+ and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1-azoniabicyclo[2.2.2]octane
Also Known As: benzylquinuclidinium, 1-Benzylquinuclidinium, 1-Benzylquinuclidine-1-ium, 1-benzyl-1-azoniabicyclo[2.2.2]octane, 1-benzyl-1-azabicyclo[2.2.2]octan-1-ium
| Molecular Formula | C14H20N+ |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.15958 |
| Heavy Atoms | 15 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 42790-41-0 |
|---|---|
| SMILES | C1C[N+]2(CCC1CC2)CC3=CC=CC=C3 |
| InChIKey | RDPBRXDVEIYBBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylquinuclidinium (CAS 42790-41-0), with molecular formula C14H20N+ and molecular weight 202.16 g/mol. IUPAC: 1-benzyl-1-azoniabicyclo[2.2.2]octane.
Chemical Property Profile of Benzylquinuclidinium
Property Insights of Benzylquinuclidinium
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylquinuclidinium. With a topological polar surface area (TPSA) of 0.0 Ų, Benzylquinuclidinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylquinuclidinium has 0 hydrogen bond donor(s) and 0 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 Benzylquinuclidinium?
The CAS number of Benzylquinuclidinium is 42790-41-0.
What is the molecular formula of Benzylquinuclidinium?
The molecular formula of Benzylquinuclidinium is C14H20N+.
What is the molecular weight of Benzylquinuclidinium?
The molecular weight of Benzylquinuclidinium is 202.16 g/mol.
Where can I buy Benzylquinuclidinium?
You can request a quote for Benzylquinuclidinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylquinuclidinium?
Yes, KEHONG BIO provides custom synthesis services for Benzylquinuclidinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.