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Chemical structure of endo-BCN-O-PNB

GC64641

endo-BCN-O-PNB

Also known as [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl (4-nitrophenyl) carbonate

endo-BCN-O-PNB is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS1263166-91-1MW315.32FormulaC17H17NO5
CAS number
1263166-91-1
Molecular weight
315.32
Formula
C17H17NO5
Solubility
DMSO ： 100 mg/mL (317·14 mM; Need ultrasonic)
InChIKey
QXNXOXMDBLHIDB-XYPWUTKMSA-N
Catalogue number
GC64641
Brand
GLPBIO
Computed properties PubChem CID 77078536 · XLogP 4.3 · TPSA 81.4 Ų · H-bond donors 0
XLogP
4.3
TPSA
81.4 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23

SMILES C1C[C@@H]2[C@@H](C2COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])CCC#C1

Computed descriptors from PubChem (CID 77078536), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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