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Chemical structure of Cyclooctyne-O-PFP ester

GC38631

Cyclooctyne-O-PFP ester

Also known as (2,3,4,5,6-pentafluorophenyl) 2-cyclooct-2-yn-1-yloxyacetate

Cyclooctyne-O-PFP ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS886209-60-5MW348.26FormulaC16H13F5O3
CAS number
886209-60-5
Molecular weight
348.26
Formula
C16H13F5O3
Solubility
Soluble in DMSO
InChIKey
FTKRNGMQMZGSDF-UHFFFAOYSA-N
Catalogue number
GC38631
Brand
GLPBIO
Computed properties PubChem CID 59511122 · XLogP 4.2 · TPSA 35.5 Ų · H-bond donors 0
XLogP
4.2
TPSA
35.5 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
24

SMILES C1CCC#CC(CC1)OCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

Computed descriptors from PubChem (CID 59511122), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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