RefChem:79804
TL;DR: RefChem:79804 (CAS 67874-12-8) is a chemical compound with molecular formula C33H64N4O5S and molecular weight 628.4597 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-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]dodecanamide;methyl sulfate
Also Known As: 1-{2-[(2-cyanoethyl)(dodecanoyl)amino]ethyl}-1-methyl-2-undecyl-4,5-dihydro-1h-imidazol-1-ium methyl sulfate, 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxododecyl)amino)ethyl)-4,5-dihydro-1-methyl-2-undecyl-, methyl sulfate, 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxododecyl)amino)ethyl)-4,5-dihydro-1-methyl-2-undecyl-, methyl sulfate (1:1), 1-[2-[(2-cyanoethyl)(1-oxododecyl)amino]ethyl]-4,5-dihydro-1-methyl-2-undecyl-1H-imidazolium methyl sulphate, 1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxododecyl)amino]ethyl]-4,5-dihydro-1-methyl-2-undecyl-, methyl sulfate
Technical Specifications
| Molecular Formula | C33H64N4O5S |
| Molecular Weight | 628.4597 g/mol |
| XLogP | 7.52 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 25 |
| Exact Mass | 628.4597 Da |
| Heavy Atoms | 43 |
| Complexity | 743.0 |
| SMILES | CCCCCCCCCCCC1=NCC[N+]1(C)CCN(CCC#N)C(=O)CCCCCCCCCCC.COS(=O)(=O)[O-] |
| InChIKey | CJQJKTASNAAALI-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:79804
Property Insights of RefChem:79804
The XLogP value of 7.52 indicates that RefChem:79804 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:79804. Following Lipinski's Rule of Five, RefChem:79804 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:79804?
The CAS number of RefChem:79804 is 67874-12-8.
What is the molecular formula of RefChem:79804?
The molecular formula of RefChem:79804 is C33H64N4O5S.
What is the molecular weight of RefChem:79804?
The molecular weight of RefChem:79804 is 628.4597 g/mol.
Where can I buy RefChem:79804?
You can request a quote for RefChem:79804 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:79804?
Yes, CoreyChem provides custom synthesis services for RefChem:79804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.