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Chemical structure of And1-IN-1

GC73293

And1-IN-1

Also known as 5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-hydroxy-3H-2,1-benzoxaborole

And1-IN-1 (compound III) is a potent And1 inhibitor

ChemicalCAS2451028-69-4MW304.96FormulaC15H11BCl2O2
CAS number
2451028-69-4
Molecular weight
304.96
Formula
C15H11BCl2O2
Solubility
DMSO ： 120 mg/mL (393·49 mM; Need ultrasonic)
InChIKey
CKTQNMPMPHGBHO-OWOJBTEDSA-N
Catalogue number
GC73293
Brand
GLPBIO
Computed properties PubChem CID 154632429 · TPSA 29.5 Ų · H-bond donors 1 · H-bond acceptors 2
TPSA
29.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20

SMILES B1(C2=C(CO1)C=C(C=C2)/C=C/C3=CC(=C(C=C3)Cl)Cl)O

Computed descriptors from PubChem (CID 154632429), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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