RefChem:79806
TL;DR: RefChem:79806 (CAS 67874-10-6) is a chemical compound with molecular formula C49H96N4O5S and molecular weight 852.71014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-cyanoethyl)-N-[2-(1-methyl-2-nonadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]icosanamide;methyl sulfate
Also Known As: 1-{2-[(2-cyanoethyl)(icosanoyl)amino]ethyl}-1-methyl-2-nonadecyl-4,5-dihydro-1h-imidazol-1-ium methyl sulfate, 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxoeicosyl)amino)ethyl)-4,5-dihydro-1-methyl-2-nonadecyl-, methyl sulfate, 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxoeicosyl)amino)ethyl)-4,5-dihydro-1-methyl-2-nonadecyl-, methyl sulfate (1:1), 1-[2-[(2-cyanoethyl)(1-oxoicosyl)amino]ethyl]-4,5-dihydro-1-methyl-2-nonadecyl-1H-imidazolium methyl sulphate, 1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxoeicosyl)amino]ethyl]-4,5-dihydro-1-methyl-2-nonadecyl-, methyl sulfate
Technical Specifications
| Molecular Formula | C49H96N4O5S |
| Molecular Weight | 852.71014 g/mol |
| XLogP | 13.76 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 41 |
| Exact Mass | 852.71014 Da |
| Heavy Atoms | 59 |
| Complexity | 984.0 |
| SMILES | CCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-] |
| InChIKey | HROQWPUNOJRCJI-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:79806
Property Insights of RefChem:79806
The XLogP value of 13.76 indicates that RefChem:79806 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:79806. Following Lipinski's Rule of Five, RefChem:79806 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:79806?
The CAS number of RefChem:79806 is 67874-10-6.
What is the molecular formula of RefChem:79806?
The molecular formula of RefChem:79806 is C49H96N4O5S.
What is the molecular weight of RefChem:79806?
The molecular weight of RefChem:79806 is 852.71014 g/mol.
Where can I buy RefChem:79806?
You can request a quote for RefChem:79806 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:79806?
Yes, CoreyChem provides custom synthesis services for RefChem:79806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.