Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester
TL;DR: Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester (CAS 101611-66-9) is a chemical compound with molecular formula C24H42I2N2O4 and molecular weight 676.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[6-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)hexyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate diiodide
Also Known As: 1,1'-Hexamethylenebis(3-carboxyquinuclidinium iodide) dimethyl ester, Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester, methyl 1-[6-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)hexyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate;diiodide, methyl 1-[6-(8-methoxycarbonyl-1-azoniabicyclo[2.2.2]oct-1-yl)hexyl]-1 -azoniabicyclo[2.2.2]octane-8, 1,1'-(Hexane-1,6-diyl)bis[3-(methoxycarbonyl)-1-azabicyclo[2.2.2]octan-1-ium] diiodide
| Molecular Formula | C24H42I2N2O4 |
|---|---|
| Molecular Weight | 676.12 g/mol |
| LogP | -3.386 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 676.1234 |
| Heavy Atoms | 32 |
| Complexity | 577.4888 |
Chemical Identifiers
| CAS Number | 101611-66-9 |
|---|---|
| SMILES | COC(=O)C1C[N+]2(CCC1CC2)CCCCCC[N+]34CCC(CC3)C(C4)C(=O)OC.[I-].[I-] |
Product Overview
Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester (CAS 101611-66-9), with molecular formula C24H42I2N2O4 and molecular weight 676.12 g/mol. IUPAC: methyl 1-[6-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)hexyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate diiodide.
Chemical Property Profile of Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester
Property Insights of Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester
The XLogP value of -3.386 indicates that Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester 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 Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester?
The CAS number of Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester is 101611-66-9.
What is the molecular formula of Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester?
The molecular formula of Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester is C24H42I2N2O4.
What is the molecular weight of Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester?
The molecular weight of Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester is 676.12 g/mol.
Where can I buy Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester?
You can request a quote for Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.