1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1)
TL;DR: 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1) (CAS 6659-51-4) is a chemical compound with molecular formula C8H14INO and molecular weight 267.01 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 iodide
Also Known As: QUIRESTON, 3-Oxo-1-methylquinuclidinium iodide, 1-methyl-1-azoniabicyclo[2.2.2]octan-3-one;iodide, 1-Methyl-3-oxo-1-azoniabicyclo(2.2.2)octane iodide, 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide
| Molecular Formula | C8H14INO |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | -2.5703 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.01202 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 6659-51-4 |
|---|---|
| SMILES | C[N+]12CCC(CC1)C(=O)C2.[I-] |
| InChIKey | SVZAZASMEQJJMZ-UHFFFAOYSA-M |
Product Overview
1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1) (CAS 6659-51-4), with molecular formula C8H14INO and molecular weight 267.01 g/mol. IUPAC: 1-methyl-1-azoniabicyclo[2.2.2]octan-3-one iodide.
Chemical Property Profile of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1)
Property Insights of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1)
The XLogP value of -2.5703 indicates that 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1) 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-, iodide (1:1) has 0 hydrogen bond donor(s) and 2 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-, iodide (1:1)?
The CAS number of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1) is 6659-51-4.
What is the molecular formula of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1)?
The molecular formula of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1) is C8H14INO.
What is the molecular weight of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1)?
The molecular weight of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1) is 267.01 g/mol.
Where can I buy 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1)?
You can request a quote for 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1) 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-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.