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Bis-PEG3-PFP ester

CAT: 0013-GTR19226581-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226581-02Size:500 mg
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Description
Bis-PEG3-PFP ester is a heterobifunctional PEG linker used to synthesize PROTAC molecules for targeted protein degradation. It connects a target-binding ligand to an E3 ligase recruiter, enabling the study of protein function in both cellular and animal models through the ubiquitin-proteasome system.
CAS Number
1314378-13-6
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (OC=1C (F) =C (F) C (F) =C (F) C1F) CCOCCOCCOCCC (=O) OC=2C (F) =C (F) C (F) =C (F) C2F
Molecular Formula
C22H16F10O7
Molecular Weight
582.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bis-PEG3-PFP ester
CAS Number1314378-13-6
PubChem CID60146196
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC22H16F10O7
Molecular Weight582.3
XLogP3.6
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count17
Rotatable Bond Count16
Heavy Atom Count39
Formal Charge0
Complexity679
SMILES
C(COCCOCCOCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C22H16F10O7/c23-11-13(25)17(29)21(18(30)14(11)26)38-9(33)1-3-35-5-7-37-8-6-36-4-2-10(34)39-22-19(31)15(27)12(24)16(28)20(22)32/h1-8H2
InChIKey
GLOSJLVATRMZRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG3-PFP ester
CAS: 1314378-13-6
CID: 60146196
Formula: C22H16F10O7
MW: 582.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.3
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count17
Rotatable Bond Count16
Exact Mass582.07363447
Monoisotopic Mass582.07363447
Topological Polar Surface Area80.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity679
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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