RefChem:79807
TL;DR: RefChem:79807 (CAS 67874-20-8) is a chemical compound with molecular formula C47H92N4O5S and molecular weight 824.67883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide;ethyl sulfate
Also Known As: 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxooctadecyl)amino)ethyl)-1-ethyl-2-heptadecyl-4,5-dihydro-, ethyl sulfate, 1-{2-[(2-cyanoethyl)(stearoyl)amino]ethyl}-1-ethyl-2-heptadecyl-4,5-dihydro-1h-imidazol-1-ium ethyl sulfate, 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxooctadecyl)amino)ethyl)-1-ethyl-2-heptadecyl-4,5-dihydro-, ethyl sulfate (1:1), 1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxooctadecyl)amino]ethyl]-1-ethyl-2-heptadecyl-4,5-dihydro-, ethyl sulfate, 1-(2-((2-Cyanoethyl)(1-oxooctadecyl)amino)ethyl)-1-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazolium ethyl sulphate
Technical Specifications
| Molecular Formula | C47H92N4O5S |
| Molecular Weight | 824.67883 g/mol |
| XLogP | 12.98 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 39 |
| Exact Mass | 824.67883 Da |
| Heavy Atoms | 57 |
| Complexity | 951.0 |
| SMILES | CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | VJZSHHISGDXXMO-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:79807
Property Insights of RefChem:79807
The XLogP value of 12.98 indicates that RefChem:79807 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79807. Following Lipinski's Rule of Five, RefChem:79807 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:79807?
The CAS number of RefChem:79807 is 67874-20-8.
What is the molecular formula of RefChem:79807?
The molecular formula of RefChem:79807 is C47H92N4O5S.
What is the molecular weight of RefChem:79807?
The molecular weight of RefChem:79807 is 824.67883 g/mol.
Where can I buy RefChem:79807?
You can request a quote for RefChem:79807 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:79807?
Yes, CoreyChem provides custom synthesis services for RefChem:79807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.