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Mal-PEG3-PFP ester

CAT: 0804-HY-130586-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130586-02Size:10 mg
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Description
Mal-PEG3-PFP ester is a PEG-based PROTAC linker can be used in the synthesis of PROTACs.
CAS Number
1807534-78-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mal-peg3-pfp-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(OC1=C(F)C(F)=C(F)C(F)=C1F)CCOCCOCCOCCN2C(C=CC2=O)=O
Molecular Formula
C19H18F5NO7
Molecular Weight
467.34
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Mal-PEG3-PFP
CAS Number1807534-78-6
PubChem CID77078349
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC19H18F5NO7
Molecular Weight467.3
XLogP0.9
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Heavy Atom Count32
Formal Charge0
Complexity648
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C19H18F5NO7/c20-14-15(21)17(23)19(18(24)16(14)22)32-13(28)3-5-29-7-9-31-10-8-30-6-4-25-11(26)1-2-12(25)27/h1-2H,3-10H2
InChIKey
NTHCDRJWHPEQDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG3-PFP
CAS: 1807534-78-6
CID: 77078349
Formula: C19H18F5NO7
MW: 467.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.3
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Exact Mass467.10034272
Monoisotopic Mass467.10034272
Topological Polar Surface Area91.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity648
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T15988-01Mal-PEG3-PFP ester
MBS5799994Mal-amido-PEG3-C1-PFP ester
T38798Mal-PFP ester
572440Hydroxy-PEG3-PFP ester
T14103-01Acid-PEG3-PFP ester
MBS5800059Propargyl-PEG3-PFP ester
MBS5768673Bis-PEG3-PFP ester
HXC53007-01Azido-PEG3-PFP ester
BIPG1510-01Mal-PEG3-PFP

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