1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2-methylphenyl)urea
Structure Info
- Chemspace ID
- CSSB21332088931 (In-Stock Building Blocks)
- IUPAC Name
- 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2-methylphenyl)urea
- Mol formula
- C21H25BF2N2O4
- Mol weight
- 418 Da
- Catalog Number(s)
- BBLS21332088931, EN300-54741886, bbls21332088931
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.43
- Heavy atoms count
- 30
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.38
- Polar surface area (Å)
- 69
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2-methylphenyl)urea (C21H25BF2N2O4) - CSSB21332088931](/st/structure/200/73b85e3575687bb38005f234b4d93e4c/CC1%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DCC%253DC1.png "C21H25BF2N2O4")
- Zoom the structure
- CSSB21332088931
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 | 683.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 716.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 748.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 781.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 813.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,594.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 2,360.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 3,499.00 |
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Substructure Analogs
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,6-dimethylphenyl)urea - CSSB21332088925](/st/structure/200/ccb10d9ec1cb2da2c2f8be423f6680bb/CC1%253DCC%253DCC%2528C%2529%253DC1NC%2528%253DO%2529NC1%253DCC%2528B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529%253DC%2528OC%2528F%2529F%2529C%253DC1.png)
![Chemical structure of 3-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(2-ethynylphenyl)urea - CSSB21332088932](/st/structure/200/fdc05cc961c6e4a8a94fa4c2a534e7c0/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DC%2528OC%2528F%2529F%2529C%253DCC%2528NC%2528%253DO%2529NC2%253DC%2528C%253DCC%253DC2%2529C%2523C%2529%253DC1.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,5-dimethylphenyl)urea - CSSB21332091849](/st/structure/200/a936978645b59154dde6fa964270d5b2/CC1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529%253DC%2528C%2529C%253DC1.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2-ethylphenyl)urea - CSSB21332045528](/st/structure/200/262d85ab5b477999c57946c00b01f3a0/CCC1%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DCC%253DC1.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,3-dimethylphenyl)urea - CSSB21332140740](/st/structure/200/11cf56a12e78b3e5e3e9e0caff011399/CC1%253DC%2528C%2529C%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529%253DCC%253DC1.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,4-dimethylphenyl)urea - CSSB21332091260](/st/structure/200/ddc437a8fba36036f24537c59a47bbbb/CC1%253DCC%2528C%2529%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DC1.png)
![Chemical structure of 1-(2-cyanophenyl)-3-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332113205](/st/structure/200/cc6669e90167d44f241333e19e4a6b11/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DC%2528OC%2528F%2529F%2529C%253DCC%2528NC%2528%253DO%2529NC2%253DC%2528C%253DCC%253DC2%2529C%2523N%2529%253DC1.png)
