RefChem:79803
TL;DR: RefChem:79803 (CAS 67874-16-2) is a chemical compound with molecular formula C35H68N4O5S and molecular weight 656.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-N-[2-(1-ethyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]dodecanamide;ethyl sulfate
Also Known As: 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxododecyl)amino)ethyl)-1-ethyl-4,5-dihydro-2-undecyl-, ethyl sulfate, 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxododecyl)amino)ethyl)-1-ethyl-4,5-dihydro-2-undecyl-, ethyl sulfate (1:1), 1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxododecyl)amino]ethyl]-1-ethyl-4,5-dihydro-2-undecyl-, ethyl sulfate, 1-(2-((2-Cyanoethyl)(1-oxododecyl)amino)ethyl)-1-ethyl-4,5-dihydro-2-undecyl-1H-imidazolium ethyl sulphate, 1-[2-[(2-cyanoethyl)(1-oxododecyl)amino]ethyl]-1-ethyl-4,5-dihydro-2-undecyl-1H-imidazolium ethyl sulphate
| Molecular Formula | C35H68N4O5S |
|---|---|
| Molecular Weight | 656.49 g/mol |
| LogP | 8.30238 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 27 |
| Exact Mass | 656.491 |
| Heavy Atoms | 45 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 67874-16-2 |
|---|---|
| SMILES | CCCCCCCCCCCC1=NCC[N+]1(CC)CCN(CCC#N)C(=O)CCCCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | OKUBZTTZGMSIEF-UHFFFAOYSA-M |
Product Overview
RefChem:79803 (CAS 67874-16-2), with molecular formula C35H68N4O5S and molecular weight 656.49 g/mol. IUPAC: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]dodecanamide;ethyl sulfate.
Chemical Property Profile of RefChem:79803
Property Insights of RefChem:79803
The XLogP value of 8.30238 indicates that RefChem:79803 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:79803. Following Lipinski's Rule of Five, RefChem:79803 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79803?
The CAS number of RefChem:79803 is 67874-16-2.
What is the molecular formula of RefChem:79803?
The molecular formula of RefChem:79803 is C35H68N4O5S.
What is the molecular weight of RefChem:79803?
The molecular weight of RefChem:79803 is 656.49 g/mol.
Where can I buy RefChem:79803?
You can request a quote for RefChem:79803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79803?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.