Irlbacholine
TL;DR: Irlbacholine (CAS 156832-61-0) is a chemical compound with molecular formula C32H70N2O8P2 and molecular weight 672.46075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
22-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydocosyl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Irlbacholine, 22-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydocosyl 2-(trimethylazaniumyl)ethyl phosphate, 1,22-Bis[{[(trimethylammonium)ethoxy]phosphinyl}oxy]docosane, 1,22-Bis[[[2-(trimethylammonium)ethoxyl]-phosphinyl]oxy]docosane, 1,22-Bis[2-(trimethylaminio)ethoxy(oxylato)phosphinyloxy]docosane
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C32H70N2O8P2 |
| Molecular Weight | 672.46075 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 33 |
| Exact Mass | 672.46075 Da |
| Heavy Atoms | 44 |
| Complexity | 681.0 |
| SMILES | C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C |
| InChIKey | PUNFUIMDUBRENC-UHFFFAOYSA-N |
Chemical Property Profile of Irlbacholine
Property Insights of Irlbacholine
The XLogP value of 7.8 indicates that Irlbacholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Irlbacholine. Following Lipinski's Rule of Five, Irlbacholine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Irlbacholine?
The CAS number of Irlbacholine is 156832-61-0.
What is the molecular formula of Irlbacholine?
The molecular formula of Irlbacholine is C32H70N2O8P2.
What is the molecular weight of Irlbacholine?
The molecular weight of Irlbacholine is 672.46075 g/mol.
Where can I buy Irlbacholine?
You can request a quote for Irlbacholine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Irlbacholine?
Yes, CoreyChem provides custom synthesis services for Irlbacholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.