Structure Info
- Chemspace ID
- CSSS00132386447 (In-Stock Screening Compounds)
- MFCD
- MFCD01070434
- IUPAC Name
- 2-[(3-bromo-4-hydroxy-5-methylphenyl)[(1Z)-3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]methyl]benzene-1-sulfonic acid
- Mol formula
- C21H16Br2O5S
- Mol weight
- 540 Da
- Catalog Number(s)
- 5104375, CSC132386447, OSSK_308086, STK000517
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.57
- Heavy atoms count
- 29
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.095
- Polar surface area (Å)
- 92
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSS00132386447
Items Overall 12 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, € | Qty |
|---|---|---|---|---|---|---|
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 1 mg | 88 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 2 mg | 94 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 5 mg | 99 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 10 mg | 116 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 15 mg | 132 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 20 mg | 143 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 50 mg | 231 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 100 mg | 297 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 3 umol | 94 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 5 umol | 99 | |
| ChemBridge Corp. | 14 days | United States To: | 90 | 1 mg | 68 | |
| ChemBridge Corp. | 14 days | United States To: | 90 | 5 mg | 99 | |
Description: Name: 2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid; Stereochemistry: achiral; Compound state: solid | ||||||
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