![2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate structure](/static/products/6763/67633-80-1.webp)
2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate
TL;DR: 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate (CAS 67633-80-1) is a chemical compound with molecular formula C47H90N4O6S and molecular weight 838.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate
Also Known As: N,N-Dioleylamidoethyl-N-cyanoethyl-N-ethylammonium ethosulfate, Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethyl)-, ethyl sulfate (1:1), Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl)-, ethyl sulfate, Ethanaminium, 2-cyano-N-ethyl-N,N-bis[2-[(1-oxo-9-octadecenyl)amino]ethyl]-, (Z,Z)-, ethyl sulfate, Ethanaminium, 2-cyano-N-ethyl-N,N-bis[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate
| Molecular Formula | C47H90N4O6S |
|---|---|
| Molecular Weight | 838.66 g/mol |
| LogP | 11.53 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 40 |
| Exact Mass | 838.6581 |
| Heavy Atoms | 58 |
| Complexity | 936.0 |
Chemical Identifiers
| CAS Number | 67633-80-1 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNC(=O)CCCCCCCC=CCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | WBKOLJHEDZGXGU-UHFFFAOYSA-N |
Product Overview
2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate (CAS 67633-80-1), with molecular formula C47H90N4O6S and molecular weight 838.66 g/mol. IUPAC: 2-cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate.
Chemical Property Profile of 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate
Property Insights of 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate
The XLogP value of 11.53 indicates that 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate has 2 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 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate?
The CAS number of 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate is 67633-80-1.
What is the molecular formula of 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate?
The molecular formula of 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate is C47H90N4O6S.
What is the molecular weight of 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate?
The molecular weight of 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate is 838.66 g/mol.
Where can I buy 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate?
You can request a quote for 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl-ethyl-bis[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.