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Ionizable Lipid 4

CAT: 0804-HY-159861Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-159861Size:1 Each
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Description
Ionizable Lipid 4 is an ionizable cationic lipid and a rearrangement product of the cationic lipid CA-lipid 5 induced by hydrogen peroxide[1].
CAS Number
1799316-81-6
UNSPSC
12352211
Target
Liposome
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ionizable-lipid-4.html
Smiles
CCN(CC)CCCOC(OCC(COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O
Molecular Formula
C48H85NO7
Molecular Weight
788.19
References & Citations
[1]Yang F, et al. Engineering Cell-Selective Charge-Altering Lipid Nanoparticles for Efficient siRNA Delivery in Vivo[J]. CCS Chemistry, 2024: 1-12.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ionizable Lipid 4
CAS Number1799316-81-6
PubChem CID118178670
IUPAC Name[2-[3-(diethylamino)propoxycarbonyloxymethyl]-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Molecular FormulaC48H85NO7
Molecular Weight788.2
XLogP15.3
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count44
Heavy Atom Count56
Formal Charge0
Complexity955
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)OCCCN(CC)CC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C48H85NO7/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-46(50)54-42-45(44-56-48(52)53-41-37-40-49(7-3)8-4)43-55-47(51)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h15-18,21-24,45H,5-14,19-20,25-44H2,1-4H3/b17-15-,18-16-,23-21-,24-22-
InChIKey
CKINQEPXJRAYIN-MLLZQYMOSA-N
Chemical Structure
2D Structure
2D structure of Ionizable Lipid 4
CAS: 1799316-81-6
CID: 118178670
Formula: C48H85NO7
MW: 788.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight788.2
XLogP315.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count44
Exact Mass787.63260405
Monoisotopic Mass787.63260405
Topological Polar Surface Area91.4 Ų
Heavy Atom Count56
Formal Charge0
Complexity955
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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