4-[(1-methyl-4(1H)-pyridinylidene)-ethylidene]-2,5-cyclohexadien-1-one
- CAS:
- Other names: Brooker’s merocyanine
- SMILES: CN1C=CC(C=C1)=CC=C2C=CC(=O)C=C2
Properties
| MW |
HBA |
HBD |
LogP |
TPSA |
Rot. |
Comp. |
Fsp3C |
Brutto formula |
| 211.26 |
2 |
0 |
2.45 |
20.310000000000002 |
1 |
46 |
0.07 |
C14H13NO |
Availability
| Suppliers |
Supplier IDs |
Storage |
Storage ID |
Quantity |
Class |
Added |
|
|
|
JN_G_1 |
None |
|
Jan. 1, 2023 |
Bar codes
| Plate barcode |
Sample barcode |
|
|
PAINS
| Identified PAINS |
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
| [Randomly methylated-b-Cyclodextrin (DS ~12)](1).[4-[(1-methyl-4(1H)-pyridinylidene)-ethylidene]-2,5-cyclohexadien-1-one] |
2.11 |
0.54 |
8.0 |
25.0 |
UV-Vis spectroscopy |
Clodoaldo Machado 2005 |