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Chemical structure of (R)-Zanubrutinib

GC33531

(R)-Zanubrutinib

Also listed as (R)-Zanubrutinib ((R)-BGB-3111)

(R)-Zanubrutinib ((R)-BGB-3111) is the R enantiomer of Zanubrutinib

ChemicalCAS1691249-44-1MW471.55FormulaC27H29N5O3
CAS number
1691249-44-1
Molecular weight
471.55
Formula
C27H29N5O3
Solubility
DMSO ： ≥ 64·25 mg/mL (136·25 mM);Ethanol ： ＜ 1 mg/mL (insoluble)
InChIKey
RNOAOAWBMHREKO-JOCHJYFZSA-N
Catalogue number
GC33531
Brand
GLPBIO
Computed properties PubChem CID 137071299 · XLogP 3.5 · TPSA 102 Ų · H-bond donors 2
XLogP
3.5
TPSA
102 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35

SMILES C=CC(=O)N1CCC(CC1)[C@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N

Computed descriptors from PubChem (CID 137071299), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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