2,3-二(十八烷酰氧基)丙基-(2-羟乙基)-二甲基铵
TL;DR: 2,3-二(十八烷酰氧基)丙基-(2-羟乙基)-二甲基铵 (CAS 842133-18-0) is a chemical compound with molecular formula C43H86NO5+ and molecular weight 696.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二(十八烷酰氧基)丙基-(2-羟乙基)-二甲基铵
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
| Molecular Formula | C43H86NO5+ |
|---|---|
| Molecular Weight | 696.65 g/mol |
| LogP | 16.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 41 |
| Exact Mass | 696.6506 |
| Heavy Atoms | 49 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 842133-18-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCO)OC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | NRZHPOWMSSPCPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二(十八烷酰氧基)丙基-(2-羟乙基)-二甲基铵 (CAS 842133-18-0), with molecular formula C43H86NO5+ and molecular weight 696.65 g/mol. IUPAC: 2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium.
Chemical Property Profile of 2,3-二(十八烷酰氧基)丙基-(2-羟乙基)-二甲基铵
Property Insights of 2,3-二(十八烷酰氧基)丙基-(2-羟乙基)-二甲基铵
The XLogP value of 16.3 indicates that 卡納格列淨 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 2,3-二(十八烷酰氧基)丙基-(2-羟乙基)-二甲基铵. Following Lipinski's Rule of Five, 卡納格列淨 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 卡納格列淨?
The CAS number of 卡納格列淨 is 842133-18-0.
What is the molecular formula of 卡納格列淨?
The molecular formula of 卡納格列淨 is C43H86NO5+.
What is the molecular weight of 卡納格列淨?
The molecular weight of 卡納格列淨 is 696.65 g/mol.
Where can I buy 卡納格列淨?
You can request a quote for 卡納格列淨 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卡納格列淨?
Yes, KEHONG BIO provides custom synthesis services for 卡納格列淨 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.