Rac-(3R,4R)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Structure Info
- Chemspace ID
- CSSB21381576929 (In-Stock Building Blocks)
- MFCD
- MFCD37452611
- IUPAC Name
- rac-(3R,4R)-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)
- EN300-55109004
- Copy structure to query editor
- 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 Rac-(3R,4R)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid (C20H21NO5S) - CSSB21381576929](/st/structure/200/6c5e000508a894cc96b5db61a2661e9c/COC1%253DC%2528OC%2529C%253DC2C%2528%253DO%2529N%2528C%2529%255BC%2540H%255D%2528%255BC%2540H%255D%2528C%2528O%2529%253DO%2529C2%253DC1%2529C1%253DCC%253DC%2528SC%2529C%253DC1%2B%257C%25261%253A12%252C13%252Cr%257C.png "C20H21NO5S")
- Zoom the structure
- CSSB21381576929
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 524.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 684.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 977.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 1,539.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 1,971.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 3,865.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 5,719.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 8,480.00 |
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Similarity Analogs
![Chemical structure of 6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid - 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)
