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Hydroxy-PEG3-PFP ester

CAT: 0931-T15526-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15526-01Size:100 mg
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CAS Number
1807537-40-1
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
Hydroxy-PEG3-PFP ester is a PEG-based linker for PROTACs, joining two essential ligands crucial for forming PROTAC molecules, and enabling selective protein degradation via the ubiquitin-proteasome system within cells.
Smiles
O=C(OC=1C(F)=C(F)C(F)=C(F)C1F)CCOCCOCCOCCO
Molecular Formula
C15H17F5O6
Molecular Weight
388.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hydroxy-PEG3-PFP ester
CAS Number1807537-40-1
PubChem CID77078301
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
Molecular FormulaC15H17F5O6
Molecular Weight388.28
XLogP1
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity389
SMILES
C(COCCOCCOCCO)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C15H17F5O6/c16-10-11(17)13(19)15(14(20)12(10)18)26-9(22)1-3-23-5-7-25-8-6-24-4-2-21/h21H,1-8H2
InChIKey
MDIKFXKPNIRFLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG3-PFP ester
CAS: 1807537-40-1
CID: 77078301
Formula: C15H17F5O6
MW: 388.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight388.28
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass388.09452907
Monoisotopic Mass388.09452907
Topological Polar Surface Area74.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity389
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