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1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo-
TL;DR: 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo- (CAS 112611-32-2) is a chemical compound with molecular formula C8H14NO+ and molecular weight 140.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1-azoniabicyclo[2.2.2]octan-3-one
Also Known As: 1-Methyl-3-oxoquinuclidine-1-ium, 1-methyl-1-azoniabicyclo[2.2.2]octan-3-one, 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo-, 1-Azoniabicyclo[2.2.2]octane,1-methyl-3-oxo, 1-METHYL-3-OXO-1-AZABICYCLO[2.2.2]OCTAN-1-IUM
| Molecular Formula | C8H14NO+ |
|---|---|
| Molecular Weight | 140.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.10754 |
| Heavy Atoms | 10 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 112611-32-2 |
|---|---|
| SMILES | C[N+]12CCC(CC1)C(=O)C2 |
| InChIKey | LXEGNZLCWBTDGZ-UHFFFAOYSA-N |
Product Overview
1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo- (CAS 112611-32-2), with molecular formula C8H14NO+ and molecular weight 140.11 g/mol. IUPAC: 1-methyl-1-azoniabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo-
Property Insights of 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo-. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo- 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-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo-?
The CAS number of 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo- is 112611-32-2.
What is the molecular formula of 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo-?
The molecular formula of 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo- is C8H14NO+.
What is the molecular weight of 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo-?
The molecular weight of 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo- is 140.11 g/mol.
Where can I buy 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo-?
You can request a quote for 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.