Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate
TL;DR: Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate (CAS 6659-53-6) is a chemical compound with molecular formula C10H18INO2 and molecular weight 311.04 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-yl) acetate iodide
Also Known As: NMQ-OAc, 3-Acetoxyquinuclidine methiodide, 1-Methyl-3-hydroxyquinuclidinium iodide acetate, 3-Hydroxy-1-methylquinuclidinium iodide acetate, 17239-04-2 (free acid)
| Molecular Formula | C10H18INO2 |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | -2.2077 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.03824 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 6659-53-6 |
|---|---|
| SMILES | CC(=O)OC1C[N+]2(CCC1CC2)C.[I-] |
| InChIKey | RHDQEBGQEOWQCB-UHFFFAOYSA-M |
Product Overview
Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate (CAS 6659-53-6), with molecular formula C10H18INO2 and molecular weight 311.04 g/mol. IUPAC: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate iodide.
Chemical Property Profile of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate
Property Insights of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate
The XLogP value of -2.2077 indicates that Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate 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, 3-hydroxy-1-methyl-, iodide, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate 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, 3-hydroxy-1-methyl-, iodide, acetate?
The CAS number of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate is 6659-53-6.
What is the molecular formula of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate?
The molecular formula of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate is C10H18INO2.
What is the molecular weight of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate?
The molecular weight of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate is 311.04 g/mol.
Where can I buy Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate?
You can request a quote for Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidinium, 3-hydroxy-1-methyl-, iodide, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.