RefChem:378964
TL;DR: RefChem:378964 (CAS 63716-85-8) is a chemical compound with molecular formula C14H28I2N2O2 and molecular weight 510.02402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-3-carbonyl)oxyethyl]azanium diiodide
Also Known As: Quinuclidinium, 3-carboxy-1-methyl-, iodide, ester with (2-hydroxyethyl)trimethylammonium iodide, 1-methyl-3-{[2-(trimethylammonio)ethoxy]carbonyl}-1-azoniabicyclo[2.2.2]octane diiodide, 1-Azoniabicyclo[2.2.2]octane, 1-methyl-3-[[2-(trimethylammonio)ethoxy]carbonyl]-, diiodide, trimethyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-3-carbonyl)oxyethyl]azanium diiodide, 1-Methyl-3-{[2-(trimethylazaniumyl)ethoxy]carbonyl}-1-azabicyclo[2.2.2]octan-1-ium diiodide
Technical Specifications
| Molecular Formula | C14H28I2N2O2 |
| Molecular Weight | 510.02402 g/mol |
| XLogP | -5.27 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.02402 Da |
| Heavy Atoms | 20 |
| Complexity | 314.0 |
| SMILES | C[N+]12CCC(CC1)C(C2)C(=O)OCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | PORLHOLWCPTEOL-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:378964
Property Insights of RefChem:378964
The XLogP value of -5.27 indicates that RefChem:378964 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:378964 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378964 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:378964?
The CAS number of RefChem:378964 is 63716-85-8.
What is the molecular formula of RefChem:378964?
The molecular formula of RefChem:378964 is C14H28I2N2O2.
What is the molecular weight of RefChem:378964?
The molecular weight of RefChem:378964 is 510.02402 g/mol.
Where can I buy RefChem:378964?
You can request a quote for RefChem:378964 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:378964?
Yes, CoreyChem provides custom synthesis services for RefChem:378964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.