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Acid-PEG3-PFP ester

CAT: 0013-GTR19226788-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226788-02Size:500 mg
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Description
Acid-PEG3-PFP ester is a heterobifunctional PEG linker used to construct PROTAC molecules for targeted protein degradation. It enables the conjugation of a target-binding ligand to an E3 ligase recruiter, facilitating the study of proteolysis-targeting chimeras in both cellular and biochemical assays.
CAS Number
1835759-67-5
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (O) CCOCCOCCOCCC (=O) OC=1C (F) =C (F) C (F) =C (F) C1F
Molecular Formula
C16H17F5O7
Molecular Weight
416.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acid-PEG3-PFP ester
CAS Number1835759-67-5
PubChem CID102514767
IUPAC Name3-[2-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC16H17F5O7
Molecular Weight416.29
XLogP1.2
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Heavy Atom Count28
Formal Charge0
Complexity468
SMILES
C(COCCOCCOCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
InChI
InChI=1S/C16H17F5O7/c17-11-12(18)14(20)16(15(21)13(11)19)28-10(24)2-4-26-6-8-27-7-5-25-3-1-9(22)23/h1-8H2,(H,22,23)
InChIKey
QFILSUVCEHSYOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acid-PEG3-PFP ester
CAS: 1835759-67-5
CID: 102514767
Formula: C16H17F5O7
MW: 416.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight416.29
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Exact Mass416.08944369
Monoisotopic Mass416.08944369
Topological Polar Surface Area91.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity468
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