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Chemical structure of Biotin-PEG4-alkyne

GC39532

Biotin-PEG4-alkyne

Also known as 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide

Biotin-PEG4-alkyne is a biotin-labeled, PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS1458576-00-5MW457.58FormulaC21H35N3O6S
CAS number
1458576-00-5
Molecular weight
457.58
Formula
C21H35N3O6S
Solubility
DMSO: 100 mg/mL (218·54 mM)
InChIKey
SKMJWNZZFUDLKQ-BJLQDIEVSA-N
Catalogue number
GC39532
Brand
GLPBIO
Computed properties PubChem CID 75409985 · XLogP -0.4 · TPSA 132 Ų · H-bond donors 3
XLogP
-0.4
TPSA
132 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
18
Heavy atoms
31

SMILES C#CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2

Computed descriptors from PubChem (CID 75409985), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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