Structure Info
- Chemspace ID
- CSSS00016991577 (In-Stock Screening Compounds)
- MFCD
- MFCD12545750
- IUPAC Name
- 2-methoxy-4-(4-methylbenzoyl)-6-nitrophenol
- Mol formula
- C15H13NO5
- Mol weight
- 287 Da
- Catalog Number(s)
- A019113422, A276434, AA009F1F, AC012367, AE39295, AG009F47, AG126551, AM39295, APS134612809, BD258251, C72371, C72371-0.25G, CD12152473, CSC016991577, DS-5552, F429833, FM25570, HY-100642, JH628427, LP034426, M330890, R586215, T10119
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.42
- Heavy atoms count
- 21
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.133
- Polar surface area (Å)
- 90
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00016991577
Items Overall 10 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, € | Qty |
|---|---|---|---|---|---|---|
| MedChemExpress | 10 days | United States To: | 99 | 5 mg | 49 | |
| MedChemExpress | 10 days | United States To: | 99 | 10 mg | 74 | |
| MedChemExpress | 10 days | United States To: | 99 | 25 mg | 129 | |
| MedChemExpress | 10 days | United States To: | 99 | 50 mg | 206 | |
| MedChemExpress | 10 days | United States To: | 99 | 100 mg | 328 | |
Description: Names: 3-O-Methyltolcapone; Ro 40-7591; Product Description: 3-O-Methyltolcapone (Ro 40-7591) is a metabolite of Tolcapone. Tolcapone is an orally active, reversible, selective and potent COMT inhibitor. Tolcapone crosses the blood-brain barrier, and can be used for treatment of Parkinson's disease .; Target: COMT; CAS: 134612-80-9 | ||||||
| MedChemExpress EU | 10 days | Sweden To: | 99 | 5 mg | 52 | |
| MedChemExpress EU | 10 days | Sweden To: | 99 | 10 mg | 77 | |
| MedChemExpress EU | 10 days | Sweden To: | 99 | 25 mg | 136 | |
| MedChemExpress EU | 10 days | Sweden To: | 99 | 50 mg | 217 | |
| MedChemExpress EU | 10 days | Sweden To: | 99 | 100 mg | 346 | |
Description: Names: 3-O-Methyltolcapone; Ro 40-7591; Product Description: 3-O-Methyltolcapone (Ro 40-7591) is a metabolite of Tolcapone. Tolcapone is an orally active, reversible, selective and potent COMT inhibitor. Tolcapone crosses the blood-brain barrier, and can be used for treatment of Parkinson's disease; Target: COMT; CAS: 134612-80-9 | ||||||
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