![1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate structure](/static/products/6784/67846-14-4.webp)
1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate
TL;DR: 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate (CAS 67846-14-4) is a chemical compound with molecular formula C44H85N3O5S and molecular weight 767.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-ethyl-2-heptadec-8-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadec-9-enamide;ethyl sulfate
Also Known As: 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate
| Molecular Formula | C44H85N3O5S |
|---|---|
| Molecular Weight | 767.62 g/mol |
| LogP | 11.91 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 35 |
| Exact Mass | 767.621 |
| Heavy Atoms | 53 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 67846-14-4 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(CC)CCNC(=O)CCCCCCCC=CCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | RUYPFPITFAOONF-UHFFFAOYSA-N |
Product Overview
1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate (CAS 67846-14-4), with molecular formula C44H85N3O5S and molecular weight 767.62 g/mol. IUPAC: N-[2-(1-ethyl-2-heptadec-8-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadec-9-enamide;ethyl sulfate.
Chemical Property Profile of 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate
Property Insights of 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate
The XLogP value of 11.91 indicates that 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate. Following Lipinski's Rule of Five, 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate?
The CAS number of 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate is 67846-14-4.
What is the molecular formula of 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate?
The molecular formula of 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate is C44H85N3O5S.
What is the molecular weight of 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate?
The molecular weight of 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate is 767.62 g/mol.
Where can I buy 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate?
You can request a quote for 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazolium, 1-ethyl-2-(8Z)-8-heptadecenyl-4,5-dihydro-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.