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Chemical structure of Diketone-PEG4-PFP ester

GC67567

Diketone-PEG4-PFP ester

Also known as (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[3-[4-(3,5-dioxohexyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoate

Diketone-PEG4-PFP ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2353409-84-2MW647.58FormulaC30H34F5NO9
CAS number
2353409-84-2
Molecular weight
647.58
Formula
C30H34F5NO9
InChIKey
YJNZZHGXYBSDRO-UHFFFAOYSA-N
Catalogue number
GC67567
Brand
GLPBIO
Computed properties PubChem CID 137334061 · XLogP 2.1 · TPSA 126 Ų · H-bond donors 1
XLogP
2.1
TPSA
126 Ų
H-bond donors
1
H-bond acceptors
14
Rotatable bonds
23
Heavy atoms
45

SMILES CC(=O)CC(=O)CCC1=CC=C(C=C1)NC(=O)CCOCCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

Computed descriptors from PubChem (CID 137334061), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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