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Mal-PEG3-PFP ester

CAT: 0013-GTR19226369-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226369-01Size:100 mg
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Description
Mal-PEG3-PFP ester is a heterobifunctional PEG linker used to construct PROTAC molecules for targeted protein degradation. It facilitates the assembly of E3 ligase and target protein ligands, enabling the study of PROTAC mechanisms in both cellular and in vivo models.
CAS Number
1807534-78-6
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (OC=1C (F) =C (F) C (F) =C (F) C1F) CCOCCOCCOCCN2C (=O) C=CC2=O
Molecular Formula
C19H18F5NO7
Molecular Weight
467.34
Storage Conditions
-20°C
Notes
For research use only.

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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