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Chemical structure of Acrylodan

GC61505

Acrylodan

Also known as 1-[6-(dimethylamino)naphthalen-2-yl]prop-2-en-1-one

Acrylodan, reacted with thiols, is sensitive to the local environmental dipolarity and dynamics within the binding pocket surrounding Cys34

ChemicalCAS86636-92-2MW225.29FormulaC15H15NO
CAS number
86636-92-2
Molecular weight
225.29
Formula
C15H15NO
Solubility
DMSO ： 50 mg/mL (221·94 mM; Need ultrasonic)
InChIKey
HMWAJFNEGAJETK-UHFFFAOYSA-N
Catalogue number
GC61505
Brand
GLPBIO
Computed properties PubChem CID 104901 · XLogP 3.6 · TPSA 20.3 Ų · H-bond donors 0
XLogP
3.6
TPSA
20.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17

SMILES CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)C=C

Computed descriptors from PubChem (CID 104901), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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