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4A3-SC8

CAT: 0931-T78526-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T78526-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1857340-78-3
Target
Liposome
Related Pathways
Metabolism
Purity
0.9987
Bioactivity
4A3-SC8 is a modular dendritic macromolecule with cationic and lipophilic groups that enables small RNAs to prolong survival in an aggressive hepatocellular carcinoma model and can be used to synthesize lipid nanoparticles.
Smiles
O=C(OCCOC(=O)C(C)CSCCCCCCCC)CCN(CCC(=O)OCCOC(=O)C(C)CSCCCCCCCC)CCCN(C)CCCN(CCC(=O)OCCOC(=O)C(C)CSCCCCCCCC)CCC(=O)OCCOC(=O)C(C)CSCCCCCCCC
Molecular Formula
C75H139N3O16S4
Molecular Weight
1467.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 129092706
CAS Number1857340-78-3
PubChem CID129092706
IUPAC Name2-[3-[3-[3-[bis[3-[2-(2-methyl-3-octylsulfanylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propyl-methylamino]propyl-[3-[2-(2-methyl-3-octylsulfanylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propanoyloxy]ethyl 2-methyl-3-octylsulfanylpropanoate
Molecular FormulaC75H139N3O16S4
Molecular Weight1467.2
XLogP18.2
Topological Polar Surface Area321
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count23
Rotatable Bond Count80
Heavy Atom Count98
Formal Charge0
Complexity1730
SMILES
CCCCCCCCSCC(C)C(=O)OCCOC(=O)CCN(CCCN(C)CCCN(CCC(=O)OCCOC(=O)C(C)CSCCCCCCCC)CCC(=O)OCCOC(=O)C(C)CSCCCCCCCC)CCC(=O)OCCOC(=O)C(C)CSCCCCCCCC
InChI
InChI=1S/C75H139N3O16S4/c1-10-14-18-22-26-30-56-95-60-64(5)72(83)91-52-48-87-68(79)36-44-77(45-37-69(80)88-49-53-92-73(84)65(6)61-96-57-31-27-23-19-15-11-2)42-34-40-76(9)41-35-43-78(46-38-70(81)89-50-54-93-74(85)66(7)62-97-58-32-28-24-20-16-12-3)47-39-71(82)90-51-55-94-75(86)67(8)63-98-59-33-29-25-21-17-13-4/h64-67H,10-63H2,1-9H3
InChIKey
HMIDEMNFLBUNTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 129092706
CAS: 1857340-78-3
CID: 129092706
Formula: C75H139N3O16S4
MW: 1467.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1467.2
XLogP318.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count23
Rotatable Bond Count80
Exact Mass1465.90382005
Monoisotopic Mass1465.90382005
Topological Polar Surface Area321 Ų
Heavy Atom Count98
Formal Charge0
Complexity1730
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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