Quinuclium
TL;DR: Quinuclium (CAS 740741-60-0) is a chemical compound with molecular formula C14H18NO+ and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one
Also Known As: Quinuclium, 1-METHYL-3-OXO-4-PHENYLQUINUCLIDINIUM, 1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one, 1-Methyl-3-oxo-4-phenylquinuclidin-1-ium, 1-Methyl-3-keto-4-phenylquinuclidinium bromide
| Molecular Formula | C14H18NO+ |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.13884 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 740741-60-0 |
|---|---|
| SMILES | C[N+]12CCC(CC1)(C(=O)C2)C3=CC=CC=C3 |
| InChIKey | UCKSYFRXTAWSPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinuclium (CAS 740741-60-0), with molecular formula C14H18NO+ and molecular weight 216.14 g/mol. IUPAC: 1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of Quinuclium
Property Insights of Quinuclium
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinuclium. With a topological polar surface area (TPSA) of 17.1 Ų, Quinuclium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclium 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 Quinuclium?
The CAS number of Quinuclium is 740741-60-0.
What is the molecular formula of Quinuclium?
The molecular formula of Quinuclium is C14H18NO+.
What is the molecular weight of Quinuclium?
The molecular weight of Quinuclium is 216.14 g/mol.
Where can I buy Quinuclium?
You can request a quote for Quinuclium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclium?
Yes, KEHONG BIO provides custom synthesis services for Quinuclium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.