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Chemical structure of N-PEG3-N'-(propargyl-PEG4)-Cy5

GC67253

N-PEG3-N'-(propargyl-PEG4)-Cy5

Also known as 2-[2-[2-[2-[(1E,3E,5Z)-5-[3,3-dimethyl-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethanol chloride

N-PEG3-N'-(propargyl-PEG4)-Cy5 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2107273-06-1MW737.36FormulaC42H57ClN2O7
CAS number
2107273-06-1
Molecular weight
737.36
Formula
C42H57ClN2O7
InChIKey
MXPPWWDNHJQAKX-UHFFFAOYSA-M
Catalogue number
GC67253
Brand
GLPBIO
Computed properties PubChem CID 154703754 · TPSA 81.9 Ų · H-bond donors 1 · H-bond acceptors 9
TPSA
81.9 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
24
Heavy atoms
52

SMILES CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C\3/C(C4=CC=CC=C4N3CCOCCOCCOCCOCC#C)(C)C)CCOCCOCCO)C.[Cl-]

Computed descriptors from PubChem (CID 154703754), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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