2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium
TL;DR: 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium (CAS 842133-18-0) is a chemical compound with molecular formula C43H86NO5+ and molecular weight 696.6506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium
Also Known As: Canagliflozin, 2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium, 2,3-dioctadecanoyloxypropyl-(2-hydroxyethyl)-dimethyl-azanium, (2S,3R,4R,5S,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C43H86NO5+ |
| Molecular Weight | 696.6506 g/mol |
| XLogP | 16.3 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 41 |
| Exact Mass | 696.6506 Da |
| Heavy Atoms | 49 |
| Complexity | 712.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCO)OC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | NRZHPOWMSSPCPW-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium
Property Insights of 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium
The XLogP value of 16.3 indicates that 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium. Following Lipinski's Rule of Five, 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium?
The CAS number of 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium is 842133-18-0.
What is the molecular formula of 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium?
The molecular formula of 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium is C43H86NO5+.
What is the molecular weight of 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium?
The molecular weight of 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium is 696.6506 g/mol.
Where can I buy 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium?
You can request a quote for 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium?
Yes, CoreyChem provides custom synthesis services for 2,3-Di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.