Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide
TL;DR: Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide (CAS 62581-23-1) is a chemical compound with molecular formula C11H20INO2 and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylate iodide
Also Known As: Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide, 2-(ethoxycarbonyl)-1-methyl-1-azabicyclo[2.2.2]octan-1-ium iodide, 2-(ethoxycarbonyl)-1-methyl-1-azoniabicyclo[2.2.2]octane iodide, ethyl 1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylate,iodide, ETHYL 1-METHYL-1-AZONIABICYCLO[2.2.2]OCTANE-7-CARBOXYLATE IODIDE
| Molecular Formula | C11H20INO2 |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | -1.82 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0539 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 62581-23-1 |
|---|---|
| SMILES | CCOC(=O)C1CC2CC[N+]1(CC2)C.[I-] |
| InChIKey | CBKQWIBXFHHUHD-UHFFFAOYSA-M |
Product Overview
Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide (CAS 62581-23-1), with molecular formula C11H20INO2 and molecular weight 325.05 g/mol. IUPAC: ethyl 1-methyl-1-azoniabicyclo[2.2.2]octane-2-carboxylate iodide.
Chemical Property Profile of Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide
Property Insights of Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide
The XLogP value of -1.82 indicates that Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide has 0 hydrogen bond donor(s) and 3 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 Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide?
The CAS number of Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide is 62581-23-1.
What is the molecular formula of Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide?
The molecular formula of Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide is C11H20INO2.
What is the molecular weight of Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide?
The molecular weight of Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide is 325.05 g/mol.
Where can I buy Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide?
You can request a quote for Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidinium, 2-(ethoxycarbonyl)-1-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.