Rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylate
Structure Info
- Chemspace ID
- CSSB02125422628 (In-Stock Building Blocks)
- CAS
- 2248352-39-6
- IUPAC Name
- rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylate
- Mol formula
- C16H14F3NO4
- Mol weight
- 341 Da
- Catalog Number(s)
- BBV-159647728, EN300-6525661
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.51
- Heavy atoms count
- 24
- Rotatable bond count
- 4
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.437
- Polar surface area (Å)
- 64
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB02125422628
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 | 1,056.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 1,106.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 1,156.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 1,206.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 1,256.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 2,464.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 3,645.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 5,405.00 |
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Substructure Analogs
![Chemical structure of rac-7-tert-butyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (1R,2S,3R,4S)-3-(trifluoromethyl)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate - CSSB20620685042](/st/structure/200/72881ee02f248838e1252a3b86b8e061/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1%255BC%2540H%255D2CC%255BC%2540%2540H%255D1%255BC%2540H%255D%2528%255BC%2540H%255D2C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DC%2528C%253DCC%253DC2%2529C1%253DO%2529C%2528F%2529%2528F%2529F%2B%257C%25261%253A8%252C11%252C12%252C13%252Cr%257C.png)
![Chemical structure of rac-7-tert-butyl 2-(4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) (1R,2S,3R,4S)-3-(trifluoromethyl)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate - CSSB20620684838](/st/structure/200/8d90ad048b847e53b0740864fec715f0/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1%255BC%2540H%255D2CC%255BC%2540%2540H%255D1%255BC%2540H%255D%2528%255BC%2540H%255D2C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DC%2528C1%253DO%2529C%2528Cl%2529%253DC%2528Cl%2529C%2528Cl%2529%253DC2Cl%2529C%2528F%2529%2528F%2529F%2B%257C%25261%253A8%252C11%252C12%252C13%252Cr%257C.png)
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