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Chemical structure of N-Bromoacetyl-β-alanine

GC62072

N-Bromoacetyl-β-alanine

Also known as 3-[(2-bromoacetyl)amino]propanoic acid

N-Bromoacetyl-β-alanine is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs· N-Bromoacetyl-β-alanine is also a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS89520-11-6MW210.03FormulaC5H8BrNO3
CAS number
89520-11-6
Molecular weight
210.03
Formula
C5H8BrNO3
Solubility
DMSO : 62·5 mg/mL (297·58 mM)
InChIKey
ULKDIPSSLZFIQU-UHFFFAOYSA-N
Catalogue number
GC62072
Brand
GLPBIO
Computed properties PubChem CID 15288904 · XLogP -0.2 · TPSA 66.4 Ų · H-bond donors 2
XLogP
-0.2
TPSA
66.4 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
10

SMILES C(CNC(=O)CBr)C(=O)O

Computed descriptors from PubChem (CID 15288904), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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