RefChem:378956
TL;DR: RefChem:378956 (CAS 63716-86-9) is a chemical compound with molecular formula C17H34I2N2O2 and molecular weight 552.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-[2-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)acetyl]oxyethyl]azanium diiodide
Also Known As: Quinuclidinium, 3-(carboxymethyl)-1-methyl-, iodide, ester with diethyl(2-hydroxyethyl)methylammonium iodide, 3-(2-{2-[diethyl(methyl)ammonio]ethoxy}-2-oxoethyl)-1-methyl-1-azoniabicyclo[2.2.2]octanediiodide, 1-Azoniabicyclo[2.2.2]octane, 3-[2-[2-(diethylmethylammonio)ethoxy]-2-oxoethyl]-1-methyl-, diiodide, 3-(2-{2-[Diethyl(methyl)azaniumyl]ethoxy}-2-oxoethyl)-1-methyl-1-azabicyclo[2.2.2]octan-1-ium diiodide, DIETHYL-METHYL-[2-[2-(1-METHYL-1-AZONIABICYCLO[2.2.2]OCT-8-YL)ACETYL]OXYETHYL]AZANIUM DIIODIDE
| Molecular Formula | C17H34I2N2O2 |
|---|---|
| Molecular Weight | 552.07 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.071 |
| Heavy Atoms | 23 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 63716-86-9 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)CC1C[N+]2(CCC1CC2)C.[I-].[I-] |
| InChIKey | ARMSUXRJKXTMGX-UHFFFAOYSA-L |
Product Overview
RefChem:378956 (CAS 63716-86-9), with molecular formula C17H34I2N2O2 and molecular weight 552.07 g/mol. IUPAC: diethyl-methyl-[2-[2-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)acetyl]oxyethyl]azanium diiodide.
Chemical Property Profile of RefChem:378956
Property Insights of RefChem:378956
The XLogP value of -4.1 indicates that RefChem:378956 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, RefChem:378956 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378956 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 RefChem:378956?
The CAS number of RefChem:378956 is 63716-86-9.
What is the molecular formula of RefChem:378956?
The molecular formula of RefChem:378956 is C17H34I2N2O2.
What is the molecular weight of RefChem:378956?
The molecular weight of RefChem:378956 is 552.07 g/mol.
Where can I buy RefChem:378956?
You can request a quote for RefChem:378956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378956?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.