(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one hydrochloride
Structure Info
- Chemspace ID
- CSSB00020654965 (In-Stock Building Blocks)
- IUPAC Name
- (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one hydrochloride
- Mol formula
- C21H22ClNO6
- Mol weight
- 420 Da
- Catalog Number(s)
- AG01Q3L2, APS5936287, CSC020654965, EC01Q5QU, TX01Q4QQ, Y5255505
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.74
- Heavy atoms count
- 29
- Rotatable bond count
- 3
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.38
- Polar surface area (Å)
- 66
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 0
![Chemical structure of (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one hydrochloride (C21H22ClNO6) - CSSB00020654965](/st/structure/200/f3ba3576bebd068f735bc5e95a4d7b39/Cl.COC1%253DCC%253DC2%255BC%2540H%255D%2528OC%2528%253DO%2529C2%253DC1OC%2529%255BC%2540%2540H%255D1N%2528C%2529CCC2%253DCC3%253DC%2528OCO3%2529C%253DC12.png "C21H22ClNO6")
- Zoom the structure
- CSSB00020654965
Items Overall 2 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| eNovation CN | 20 days | China To: | 95 | 25 mg | 414.00 | |
Description: CAS: 5936-28-7 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 90 | 25 mg | 436.70 | |
Description: 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)-; CAS: 5936-28-7 | ||||||
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