3-(a-acetonylbenzyl)-4-hydroxycoumarin
- CAS:
- Other names: Warfarin
- SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
Properties
| MW |
HBA |
HBD |
LogP |
TPSA |
Rot. |
Comp. |
Fsp3C |
Brutto formula |
| 308.33 |
3 |
1 |
3.61 |
67.51 |
4 |
100 |
0.16 |
C19H16O4 |
Availability
| Suppliers |
Supplier IDs |
Storage |
Storage ID |
Quantity |
Class |
Added |
|
|
|
SF_C978 |
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 |
| [b-Cyclodextrin](1).[3-(a-acetonylbenzyl)-4-hydroxycoumarin] |
2.80 |
|
1.2 |
37.0 |
UV-vis spectroscopy |
G. Zingone 2005 |
| [b-Cyclodextrin](1).[3-(a-acetonylbenzyl)-4-hydroxycoumarin] |
2.49 |
|
5.0 |
37.0 |
UV-vis spectroscopy |
G. Zingone 2005 |
| [b-Cyclodextrin](1).[3-(a-acetonylbenzyl)-4-hydroxycoumarin] |
2.47 |
|
5.5 |
37.0 |
UV-vis spectroscopy |
G. Zingone 2005 |
| [b-Cyclodextrin](1).[3-(a-acetonylbenzyl)-4-hydroxycoumarin] |
2.00 |
|
7.4 |
37.0 |
UV-vis spectroscopy |
G. Zingone 2005 |