6-{[(tert-butoxy)carbonyl]amino}-2,2-difluoro-2H-1,3-benzodioxole-4-carboxylic acid
Structure Info
- Chemspace ID
- CSSB03555222279 (In-Stock Building Blocks)
- CAS
- 2803856-83-7
- MFCD
- MFCD35074702, MFCD35074702
- IUPAC Name
- 6-{[(tert-butoxy)carbonyl]amino}-2,2-difluoro-2H-1,3-benzodioxole-4-carboxylic acid
- Mol formula
- C13H13F2NO6
- Mol weight
- 317 Da
- Catalog Number(s)
- AG028LG4, BB4LS-EN300-35166295, BBLS03555222279, BBV-398208883, BD02586945, BL60076, EN300-35166295, TX028MLS, Y3105887, ZXC236348, bbls03555222279
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.56
- Heavy atoms count
- 22
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 94
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 2
![Chemical structure of 6-{[(tert-butoxy)carbonyl]amino}-2,2-difluoro-2H-1,3-benzodioxole-4-carboxylic acid (C13H13F2NO6) - CSSB03555222279](/st/structure/200/d2082bd5fb7e3ded5102352fd358654b/CC%2528C%2529%2528C%2529OC%2528%253DO%2529Nc1cc2OC%2528F%2529%2528F%2529Oc2c%2528c1%2529C%2528%253DO%2529O.png "C13H13F2NO6")
- Zoom the structure
- CSSB03555222279
Items Overall 24 items from 4 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 138.25 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 192.43 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 269.00 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 337.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 414.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 229.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 342.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 487.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 768.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 986.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 1,931.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 5 g | 2,858.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 10 g | 4,236.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 229.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 342.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 487.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 768.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 1 g | 986.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 2.5 g | 1,931.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 138.25 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 192.43 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 269.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 337.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 414.00 |
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Substructure Analogs
![Chemical structure of 2,5-dioxopyrrolidin-1-yl 6-{[(tert-butoxy)carbonyl]amino}-2,2-difluoro-2H-1,3-benzodioxole-4-carboxylate - CSSB20270602026](/st/structure/200/45420b4efb7495405e44066d841e6eea/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NC1%253DCC%2528C%2528%253DO%2529ON2C%2528%253DO%2529CCC2%253DO%2529%253DC2OC%2528F%2529%2528F%2529OC2%253DC1.png)
![Chemical structure of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 6-{[(tert-butoxy)carbonyl]amino}-2,2-difluoro-2H-1,3-benzodioxole-4-carboxylate - CSSB17484204900](/st/structure/200/ad2084be2d55d3ab6138e55d2432100c/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NC1%253DCC2%253DC%2528OC%2528F%2529%2528F%2529O2%2529C%2528%253DC1%2529C%2528%253DO%2529ON1C%2528%253DO%2529C2%253DCC%253DCC%253DC2C1%253DO.png)
![Chemical structure of 4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 6-{[(tert-butoxy)carbonyl]amino}-2,2-difluoro-2H-1,3-benzodioxole-4-carboxylate - CSSB20271284723](/st/structure/200/42546f476c6d5c04f90f4fc3dea0d85a/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NC1%253DCC%2528C%2528%253DO%2529ON2C%2528%253DO%2529C3%253DC%2528Cl%2529C%2528Cl%2529%253DC%2528Cl%2529C%2528Cl%2529%253DC3C2%253DO%2529%253DC2OC%2528F%2529%2528F%2529OC2%253DC1.png)
Similarity Analogs
![Chemical structure of tert-butyl N-[2,2-difluoro-7-(methylcarbamoyl)-2H-1,3-benzodioxol-5-yl]carbamate - CSSB15625328963](/st/structure/200/dc02b704a2bf66f98a679ba6e64bcaa5/CNC%2528%253DO%2529C1%253DCC%2528NC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529%253DCC2%253DC1OC%2528F%2529%2528F%2529O2.png)
![Chemical structure of tert-butyl N-[7-(dimethylcarbamoyl)-2,2-difluoro-2H-1,3-benzodioxol-5-yl]carbamate - CSSB15942521004](/st/structure/200/2c018a0315783dcb010f265856089b70/CN%2528C%2529C%2528%253DO%2529C1%253DCC%2528NC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529%253DCC2%253DC1OC%2528F%2529%2528F%2529O2.png)
![Chemical structure of tert-butyl N-{2,2-difluoro-7-[methoxy(methyl)carbamoyl]-2H-1,3-benzodioxol-5-yl}carbamate - CSSB16471483949](/st/structure/200/4f0fba8fee9c4865494fe39f43af5ac5/CON%2528C%2529C%2528%253DO%2529C1%253DCC%2528NC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529%253DCC2%253DC1OC%2528F%2529%2528F%2529O2.png)
![Chemical structure of 7-{[(tert-butoxy)carbonyl]amino}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid - CSSB00116210509](/st/structure/200/f577c881f9a3342bc226219de2808e54/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NC1%253DCC2%253DC%2528OCCO2%2529C%2528%253DC1%2529C%2528O%2529%253DO.png)
