Dioquine
TL;DR: Dioquine (CAS 3565-33-1) is a chemical compound with molecular formula C16H32I2N2O2 and molecular weight 538.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-2-carbonyl)oxyethyl]azanium diiodide
Also Known As: Diochin, Diochine, Dioquine, Dioquin, Quinuclidinium, 2-carboxy-1-methyl-, iodide, ester with diethyl(2-hydroxyethyl)methylammonium iodide
| Molecular Formula | C16H32I2N2O2 |
|---|---|
| Molecular Weight | 538.06 g/mol |
| LogP | -4.35 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.0553 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 3565-33-1 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C1CC2CC[N+]1(CC2)C.[I-].[I-] |
| InChIKey | VEVOECUDDNJOOR-UHFFFAOYSA-L |
Product Overview
Dioquine (CAS 3565-33-1), with molecular formula C16H32I2N2O2 and molecular weight 538.06 g/mol. IUPAC: diethyl-methyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-2-carbonyl)oxyethyl]azanium diiodide.
Chemical Property Profile of Dioquine
Property Insights of Dioquine
The XLogP value of -4.35 indicates that Dioquine 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, Dioquine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioquine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dioquine?
The CAS number of Dioquine is 3565-33-1.
What is the molecular formula of Dioquine?
The molecular formula of Dioquine is C16H32I2N2O2.
What is the molecular weight of Dioquine?
The molecular weight of Dioquine is 538.06 g/mol.
Where can I buy Dioquine?
You can request a quote for Dioquine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioquine?
Yes, KEHONG BIO provides custom synthesis services for Dioquine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.