Rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (1R,2R,4R)-2-methyl-5-oxobicyclo[2.2.2]octane-2-carboxylate
Structure Info
- Chemspace ID
- CSSB20620685251 (In-Stock Building Blocks)
- CAS
- 3095555-56-6
- IUPAC Name
- rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (1R,2R,4R)-2-methyl-5-oxobicyclo[2.2.2]octane-2-carboxylate
- Mol formula
- C18H17NO5
- Mol weight
- 327 Da
- Catalog Number(s)
- EN300-51745620
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.69
- Heavy atoms count
- 24
- Rotatable bond count
- 3
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.444
- Polar surface area (Å)
- 81
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
![Chemical structure of Rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (1R,2R,4R)-2-methyl-5-oxobicyclo[2.2.2]octane-2-carboxylate (C18H17NO5) - CSSB20620685251](/st/structure/200/9492d7e06780e936cbaedf3cfa0e7b08/C%255BC%2540%255D1%2528C%255BC%2540H%255D2CC%255BC%2540%2540H%255D1CC2%253DO%2529C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DC%2528C%253DCC%253DC2%2529C1%253DO%2B%257C%25261%253A1%252C3%252C6%252Cr%257C.png "C18H17NO5")
- Zoom the structure
- CSSB20620685251
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 | 1,091.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 1,143.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 1,196.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 1,247.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 1,299.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 2,548.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 3,770.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 5,590.00 |
For a custom pack size or bulk
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Substructure Analogs
![Chemical structure of rac-4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (1R,2R,4R)-2-methyl-5-oxobicyclo[2.2.2]octane-2-carboxylate - CSSB20620685049](/st/structure/200/67b310a661925f5d1d44396a18278166/C%255BC%2540%255D1%2528C%255BC%2540H%255D2CC%255BC%2540%2540H%255D1CC2%253DO%2529C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DC%2528C1%253DO%2529C%2528Cl%2529%253DC%2528Cl%2529C%2528Cl%2529%253DC2Cl%2B%257C%25261%253A1%252C3%252C6%252Cr%257C.png)
Similarity Analogs
![Chemical structure of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-methylbicyclo[2.2.1]heptane-2-carboxylate - CSSB00116221190](/st/structure/200/6970a852aabfeb521429b65b5b1b0692/CC1%2528CC2CCC1C2%2529C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DCC%253DCC%253DC2C1%253DO.png)
![Chemical structure of rac-2,5-dioxopyrrolidin-1-yl (1R,2R,4R)-2-methyl-5-oxobicyclo[2.2.2]octane-2-carboxylate - CSSB20620685092](/st/structure/200/c2633b6b15d7f9ba79a4f738f6cebc85/C%255BC%2540%255D1%2528C%255BC%2540H%255D2CC%255BC%2540%2540H%255D1CC2%253DO%2529C%2528%253DO%2529ON1C%2528%253DO%2529CCC1%253DO%2B%257C%25261%253A1%252C3%252C6%252Cr%257C.png)
![Chemical structure of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-cyano-5-oxobicyclo[2.2.2]octane-2-carboxylate - CSSB06262870147](/st/structure/200/ca004cb5052970c2fead549ab8f9b215/O%253DC%2528ON1C%2528%253DO%2529c2ccccc2C1%253DO%2529C3%2528CC4CCC3CC4%253DO%2529C%2523N.png)
![Chemical structure of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 5-methylspiro[bicyclo[2.2.2]octane-2,2'-[1,3]dioxolane]-5-carboxylate - CSSB06258928448](/st/structure/200/ea73824ec1191b2de0d0ab5269ede7c6/CC1%2528CC2CCC1CC32OCCO3%2529C%2528%253DO%2529ON4C%2528%253DO%2529c5ccccc5C4%253DO.png)
