C42H80N3O.C2H5O4S
TL;DR: C42H80N3O.C2H5O4S (CAS 68016-01-3) 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-(3-ethyl-2-heptadec-8-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadec-9-enamide;ethyl sulfate
Also Known As: 1-(2-Oleamidoethyl)-2-(8-heptadecenyl)-3-ethylimidazolinium, ethosulfate, 1-(2-Oleamidoethyl)-2-(8-heptadecenyl)-3-ethylimidazulinium, ethosulfate, 1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate, (Z,)-1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium ethyl sulphate, 1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-3-(2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethyl)-, ethyl sulfate (1:1)
| Molecular Formula | C44H85N3O5S |
|---|---|
| Molecular Weight | 767.62 g/mol |
| LogP | 11.41 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 35 |
| Exact Mass | 767.621 |
| Heavy Atoms | 53 |
| Complexity | 875.0 |
Chemical Identifiers
| CAS Number | 68016-01-3 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC1=[N+](CCN1CC)CCNC(=O)CCCCCCCC=CCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | AJBCIHJGROETBA-UHFFFAOYSA-N |
Product Overview
C42H80N3O.C2H5O4S (CAS 68016-01-3), with molecular formula C44H85N3O5S and molecular weight 767.62 g/mol. IUPAC: N-[2-(3-ethyl-2-heptadec-8-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadec-9-enamide;ethyl sulfate.
Chemical Property Profile of C42H80N3O.C2H5O4S
Property Insights of C42H80N3O.C2H5O4S
The XLogP value of 11.41 indicates that C42H80N3O.C2H5O4S 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 C42H80N3O.C2H5O4S. Following Lipinski's Rule of Five, C42H80N3O.C2H5O4S 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 C42H80N3O.C2H5O4S?
The CAS number of C42H80N3O.C2H5O4S is 68016-01-3.
What is the molecular formula of C42H80N3O.C2H5O4S?
The molecular formula of C42H80N3O.C2H5O4S is C44H85N3O5S.
What is the molecular weight of C42H80N3O.C2H5O4S?
The molecular weight of C42H80N3O.C2H5O4S is 767.62 g/mol.
Where can I buy C42H80N3O.C2H5O4S?
You can request a quote for C42H80N3O.C2H5O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C42H80N3O.C2H5O4S?
Yes, KEHONG BIO provides custom synthesis services for C42H80N3O.C2H5O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.