structure of N,N-diethylethanamine;3-[2-[2-[[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate

N,N-diethylethanamine;3-[2-[2-[[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate

CAS No.: 23216-67-3
M. Wt: 782.06700
M. Fa: C39H47N3O6S4
InChI Key: -

Names and Identifiers of 23216-67-3

CAS Number

23216-67-3

IUPAC Name

N,N-diethylethanamine;3-[2-[2-[[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate

Canonical SMILES

CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-])C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CCCS(=O)(=O)O.CCN(CC)CC

Physical and chemical properties of 23216-67-3

Exact Mass

781.23500

LogP

9.78950

Melting Point

230ºC (dec.)(lit.)

Molecular Formula

C39H47N3O6S4

Molecular Weight

782.06700

PSA

196.86000

Safety Information of 23216-67-3

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 23216-67-3

Octadecyl 2,2,2-trifluoroacetate finds various applications due to its unique properties:

  • Surfactants: Used in formulations requiring enhanced surface activity.
  • Coatings: Employed in protective coatings due to its hydrophobic characteristics.
  • Biological Research: Utilized in studies involving lipid membranes and protein interactions due to its ability to integrate into biological membranes.

Interaction Studies of 23216-67-3

Studies on Octadecyl 2,2,2-trifluoroacetate have shown that it interacts with biological membranes significantly. Its incorporation into lipid bilayers alters membrane dynamics and can influence cellular processes such as signaling and transport. Furthermore, the trifluoroacetate moiety may interact with proteins, potentially leading to inhibition or modification of enzymatic activities.

Biological Activity of 23216-67-3

The biological activity of Octadecyl 2,2,2-trifluoroacetate is primarily influenced by its structural components. The long octadecyl chain allows it to integrate into lipid bilayers, impacting membrane fluidity and permeability. This integration can affect the function of membrane proteins and enzymes, potentially inhibiting their activity or altering their functions.