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Chemical structure of N-(Biotin)-N-bis(PEG1-alcohol)

GC66948

N-(Biotin)-N-bis(PEG1-alcohol)

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

N-(Biotin)-N-bis(PEG1-alcohol) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2100306-75-8MW419.54FormulaC18H33N3O6S
CAS number
2100306-75-8
Molecular weight
419.54
Formula
C18H33N3O6S
InChIKey
NYEUWOGNEWCFCZ-ZOBUZTSGSA-N
Catalogue number
GC66948
Brand
GLPBIO
Computed properties PubChem CID 126480406 · XLogP -1.4 · TPSA 146 Ų · H-bond donors 4
XLogP
-1.4
TPSA
146 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
15
Heavy atoms
28

SMILES C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)N(CCOCCO)CCOCCO)NC(=O)N2

Computed descriptors from PubChem (CID 126480406), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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