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4A3-SC7

CAT: 0931-TCL-01975-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TCL-01975-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1857340-77-2
Target
Liposome
Related Pathways
Metabolism
Bioactivity
4A3-SC7 is a polymer of 4A3 amine and functions as an ionizable lipid. It can be utilized in the formation of lipid nanoparticles (LNP) to develop a Selective Organ Targeting (SORT) LNP platform.
Smiles
O=C(OCCOC(=O)C(C)CSCCCCCCC)CCN(CCC(=O)OCCOC(=O)C(C)CSCCCCCCC)CCCN(C)CCCN(CCC(=O)OCCOC(=O)C(C)CSCCCCCCC)CCC(=O)OCCOC(=O)C(C)CSCCCCCCC
Molecular Formula
C71H131N3O16S4
Molecular Weight
1411.07
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[3-[3-[3-[Bis[3-[2-(3-heptylsulfanyl-2-methylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propyl-methylamino]propyl-[3-[2-(3-heptylsulfanyl-2-methylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propanoyloxy]ethyl 3-heptylsulfanyl-2-methylpropanoate
CAS Number1857340-77-2
PubChem CID169068800
IUPAC Name2-[3-[3-[3-[bis[3-[2-(3-heptylsulfanyl-2-methylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propyl-methylamino]propyl-[3-[2-(3-heptylsulfanyl-2-methylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propanoyloxy]ethyl 3-heptylsulfanyl-2-methylpropanoate
Molecular FormulaC71H131N3O16S4
Molecular Weight1411.1
XLogP16
Topological Polar Surface Area321
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count23
Rotatable Bond Count76
Heavy Atom Count94
Formal Charge0
Complexity1660
SMILES
CCCCCCCSCC(C)C(=O)OCCOC(=O)CCN(CCCN(C)CCCN(CCC(=O)OCCOC(=O)C(C)CSCCCCCCC)CCC(=O)OCCOC(=O)C(C)CSCCCCCCC)CCC(=O)OCCOC(=O)C(C)CSCCCCCCC
InChI
InChI=1S/C71H131N3O16S4/c1-10-14-18-22-26-52-91-56-60(5)68(79)87-48-44-83-64(75)32-40-73(41-33-65(76)84-45-49-88-69(80)61(6)57-92-53-27-23-19-15-11-2)38-30-36-72(9)37-31-39-74(42-34-66(77)85-46-50-89-70(81)62(7)58-93-54-28-24-20-16-12-3)43-35-67(78)86-47-51-90-71(82)63(8)59-94-55-29-25-21-17-13-4/h60-63H,10-59H2,1-9H3
InChIKey
YDQQWAUZFPFEIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-[3-[3-[Bis[3-[2-(3-heptylsulfanyl-2-methylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propyl-methylamino]propyl-[3-[2-(3-heptylsulfanyl-2-methylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propanoyloxy]ethyl 3-heptylsulfanyl-2-methylpropanoate
CAS: 1857340-77-2
CID: 169068800
Formula: C71H131N3O16S4
MW: 1411.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1411.1
XLogP316
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count23
Rotatable Bond Count76
Exact Mass1409.84121979
Monoisotopic Mass1409.84121979
Topological Polar Surface Area321 Ų
Heavy Atom Count94
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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