RefChem:79823
TL;DR: RefChem:79823 (CAS 68310-72-5) is a chemical compound with molecular formula C44H89N3O5S and molecular weight 771.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide;ethyl sulfate
Also Known As: 1H-Imidazolium, 1-ethyl-2-heptadecyl-4,5-dihydro-3-[2-[(1-oxooctadecyl)amino]ethyl]-, ethyl sulfate, 1-(2-Steramidoethyl)-2-heptadecyl-3-ethylimidazolinium ethosulfate, 1-Ethyl-2-heptadecyl-4,5-dihydro-3-(2-((1-oxooctadecyl)amino)ethyl)-1H-imidazolium ethyl sulphate, 1-ethyl-2-heptadecyl-3-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-3-ium ethyl sulfate, 1H-Imidazolium, 1-ethyl-2-heptadecyl-4,5-dihydro-3-(2-((1-oxooctadecyl)amino)ethyl)-, ethyl sulfate
| Molecular Formula | C44H89N3O5S |
|---|---|
| Molecular Weight | 771.65 g/mol |
| LogP | 11.86 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 37 |
| Exact Mass | 771.6523 |
| Heavy Atoms | 53 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 68310-72-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=[N+](CCN1CC)CCNC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | ZUJNRMRJLFHYMI-UHFFFAOYSA-N |
Product Overview
RefChem:79823 (CAS 68310-72-5), with molecular formula C44H89N3O5S and molecular weight 771.65 g/mol. IUPAC: N-[2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide;ethyl sulfate.
Chemical Property Profile of RefChem:79823
Property Insights of RefChem:79823
The XLogP value of 11.86 indicates that RefChem:79823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79823. Following Lipinski's Rule of Five, RefChem:79823 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79823?
The CAS number of RefChem:79823 is 68310-72-5.
What is the molecular formula of RefChem:79823?
The molecular formula of RefChem:79823 is C44H89N3O5S.
What is the molecular weight of RefChem:79823?
The molecular weight of RefChem:79823 is 771.65 g/mol.
Where can I buy RefChem:79823?
You can request a quote for RefChem:79823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79823?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.