Rac-3-tert-butyl 7-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (1R,6S,7R)-3-azabicyclo[4.1.0]heptane-3,7-dicarboxylate
Structure Info
- Chemspace ID
- CSSB20620696247 (In-Stock Building Blocks)
- IUPAC Name
- rac-3-tert-butyl 7-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (1R,6S,7R)-3-azabicyclo[4.1.0]heptane-3,7-dicarboxylate
- Mol formula
- C20H22N2O6
- Mol weight
- 386 Da
- Catalog Number(s)
- BBV-669790577, EN300-51745819
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.96
- Heavy atoms count
- 28
- Rotatable bond count
- 5
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 93
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
![Chemical structure of Rac-3-tert-butyl 7-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (1R,6S,7R)-3-azabicyclo[4.1.0]heptane-3,7-dicarboxylate (C20H22N2O6) - CSSB20620696247](/st/structure/200/9e8918710fb8b51dd8312fcc37616b4b/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540%2540H%255D2%255BC%2540H%255D%2528C1%2529%255BC%2540H%255D2C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DC%2528C%253DCC%253DC2%2529C1%253DO%2B%257C%25261%253A10%252C11%252C13%252Cr%257C.png "C20H22N2O6")
- Zoom the structure
- CSSB20620696247
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 | 1,033.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 1,081.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 1,131.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 1,179.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 1,229.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 2,408.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 3,562.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 5,283.00 |
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Substructure Analogs
![Chemical structure of rac-3-tert-butyl 7-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (1R,6S,7R)-3-azabicyclo[4.1.0]heptane-3,7-dicarboxylate - CSSB20620685658](/st/structure/200/2596692db7f72c884c2732883efc26f8/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540%2540H%255D2%255BC%2540H%255D%2528C1%2529%255BC%2540H%255D2C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DC%2528Cl%2529C%2528Cl%2529%253DC%2528Cl%2529C%2528Cl%2529%253DC2C1%253DO%2B%257C%25261%253A10%252C11%252C13%252Cr%257C.png)
Similarity Analogs
![Chemical structure of 3-tert-butyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (1R,5S,6R)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate - CSSB00116225414](/st/structure/200/b65dc3c06d08139bb147113b868c1564/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1C%255BC%2540H%255D2%255BC%2540%2540H%255D%2528C1%2529%255BC%2540%2540H%255D2C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DCC%253DCC%253DC2C1%253DO.png)
