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Chemical structure of Biotin-PEG12-NHS ester

GC61793

Biotin-PEG12-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Biotin-PEG12-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS1934296-88-4MW941.09FormulaC41H72N4O18S
CAS number
1934296-88-4
Molecular weight
941.09
Formula
C41H72N4O18S
Solubility
DMSO: 100 mg/mL (106·26 mM)
InChIKey
WOLXSUFTTIRQOU-BVCQTOFBSA-N
Catalogue number
GC61793
Brand
GLPBIO
Computed properties PubChem CID 58481068 · XLogP -2.7 · TPSA 270 Ų · H-bond donors 3
XLogP
-2.7
TPSA
270 Ų
H-bond donors
3
H-bond acceptors
19
Rotatable bonds
46
Heavy atoms
64

SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3

Computed descriptors from PubChem (CID 58481068), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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