6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Structure Info
- Chemspace ID
- CSSB00025749069 (In-Stock Building Blocks)
- MFCD
- MFCD12027136
- IUPAC Name
- 6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
- Mol formula
- C20H21NO5S
- Mol weight
- 387 Da
- Catalog Number(s)
- AA00J428, AGN-PC-0WC94E, AGNPC-0WC94E, AI91628, ALBB-006298, BB01-0082, CD11025584, CSC025749069, D061645, FD117239, H24030, LS-02215, ST00J5LS, TX00J5AO, WKB62078, Y4196108
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.79
- Heavy atoms count
- 27
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.3
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
![Chemical structure of 6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid (C20H21NO5S) - CSSB00025749069](/st/structure/200/600fa75b9f3b412eb98e16986309bfed/COC1%253DCC2%253DC%2528C%253DC1OC%2529C%2528%253DO%2529N%2528C%2529C%2528C2C%2528O%2529%253DO%2529C1%253DCC%253DC%2528SC%2529C%253DC1.png "C20H21NO5S")
- Zoom the structure
- CSSB00025749069
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 14 days | United States To: | 95 | 500 mg | 550.00 | |
| 1st Scientific LLC | 14 days | United States To: | 95 | 1 g | 605.00 | |
Description: 6,7-Dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid; CAS: 896620-78-3 | ||||||
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