2D Structure
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2D chemical structural formula diagram.
3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.
Check the
CRANAD-2
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | [4-[(2Z)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,2-difluoro-1,3-dioxa-2-boranuidacyclohex-5-en-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium | |
|---|---|---|
| CAS Number | 1193447-34-5 | |
| Molecular Formula |
C23H25BF2N2O2 |
|
| Molecular Weight (MW) | 410.26 | |
| SMILES | CN(C)C1=CC=C(/C=C/C2=[O;v3][B++;v4]([F;v1])([F-;v1])[O;v3]=C([CH-]2)\C=C\C3=CC=C(C=C3)N(C)C)C=C1 | |
| InChIKey | PVXQJYXODFZTBR-UHFFFAOYSA-N |
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
20 mg/mL
(48.74 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Water | Insoluble |
| Ethanol | Insoluble |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Note: Technical data last updated: Sep 1, 2026.