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Chemical structure of Bafrekalant

GC64861

Bafrekalant

Also known as (3-chloro-6-methoxy-2-pyridinyl)-[(1R,5S)-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

Bafrekalant is a diazabicyclic substituted imidazo[l,2-a]pyrimidine-derivative

ChemicalCAS2256770-44-0MW531.05FormulaC29H31ClN6O2
CAS number
2256770-44-0
Molecular weight
531.05
Formula
C29H31ClN6O2
Solubility
DMSO ： 250 mg/mL (470·77 mM; Need ultrasonic)
InChIKey
VDKJCAWGDJJKNL-SZPZYZBQSA-N
Catalogue number
GC64861
Brand
GLPBIO
Computed properties PubChem CID 162623631 · XLogP 5.5 · TPSA 75.9 Ų · H-bond donors 0
XLogP
5.5
TPSA
75.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
38

SMILES CC(C)C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)CN4C[C@H]5CC[C@@H](C4)N5C(=O)C6=C(C=CC(=N6)OC)Cl

Computed descriptors from PubChem (CID 162623631), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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