RefChem:79802
TL;DR: RefChem:79802 (CAS 67874-14-0) is a chemical compound with molecular formula C55H108N4O5S and molecular weight 936.804 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-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]docosanamide;ethyl sulfate
Also Known As: 1-{2-[(2-cyanoethyl)(docosanoyl)amino]ethyl}-1-ethyl-2-henicosyl-4,5-dihydro-1h-imidazol-1-ium ethyl sulfate, 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxodocosyl)amino)ethyl)-1-ethyl-2-heneicosyl-4,5-dihydro-, ethyl sulfate, 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxodocosyl)amino)ethyl)-1-ethyl-2-heneicosyl-4,5-dihydro-, ethyl sulfate (1:1), 1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxodocosyl)amino]ethyl]-1-ethyl-2-heneicosyl-4,5-dihydro-, ethyl sulfate, 1-(2-((2-Cyanoethyl)(1-oxodocosyl)amino)ethyl)-1-ethyl-2-henicosyl-4,5-dihydro-1H-imidazolium ethyl sulphate
Technical Specifications
| Molecular Formula | C55H108N4O5S |
| Molecular Weight | 936.804 g/mol |
| XLogP | 16.1 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 47 |
| Exact Mass | 936.804 Da |
| Heavy Atoms | 65 |
| Complexity | 1070.0 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | LTIHTLLUEAQLBY-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:79802
Property Insights of RefChem:79802
The XLogP value of 16.1 indicates that RefChem:79802 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:79802. Following Lipinski's Rule of Five, RefChem:79802 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:79802?
The CAS number of RefChem:79802 is 67874-14-0.
What is the molecular formula of RefChem:79802?
The molecular formula of RefChem:79802 is C55H108N4O5S.
What is the molecular weight of RefChem:79802?
The molecular weight of RefChem:79802 is 936.804 g/mol.
Where can I buy RefChem:79802?
You can request a quote for RefChem:79802 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:79802?
Yes, CoreyChem provides custom synthesis services for RefChem:79802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.