1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,5-dimethylphenyl)urea
Structure Info
- Chemspace ID
- CSSB21332091849 (In-Stock Building Blocks)
- IUPAC Name
- 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,5-dimethylphenyl)urea
- Mol formula
- C22H27BF2N2O4
- Mol weight
- 432 Da
- Catalog Number(s)
- BBLS21332091849, EN300-54740587, bbls21332091849
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.9
- Heavy atoms count
- 31
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.409
- 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-(2,5-dimethylphenyl)urea (C22H27BF2N2O4) - 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 "C22H27BF2N2O4")
- Zoom the structure
- CSSB21332091849
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 |
For a custom pack size or bulk
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Substructure Analogs
![Chemical structure of 3-(2-cyano-5-methylphenyl)-1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332088564](/st/structure/200/07e8ef66431b3ca47b8e74b624a77f5b/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%253DC1%2529C%2523N.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea - CSSB21332175950](/st/structure/200/da924f6f8cdfb654cb296efaf19c91f6/CC1%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DC%2528C%253DC1%2529C%2528F%2529%2528F%2529F.png)
Similarity Analogs
![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-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(5-fluoro-2-methylphenyl)urea - CSSB21332057589](/st/structure/200/7299633e09a9d8f1d1ff6b623a537ff9/CC1%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DC%2528F%2529C%253DC1.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2-methoxy-5-methylphenyl)urea - CSSB21332093179](/st/structure/200/6ee650d73fc8413dca8f457692bac226/COC1%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DC%2528C%2529C%253DC1.png)
![Chemical structure of 3-(2,5-dimethylphenyl)-1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332093749](/st/structure/200/782f98dc6b0181e3300582f405e3b386/CC1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528C%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-fluoro-5-methylphenyl)urea - CSSB21332140746](/st/structure/200/15115e274c7ae86a82924d27fd7ea92f/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%2528F%2529C%253DC1.png)
![Chemical structure of 3-(2-chloro-5-methylphenyl)-1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332045866](/st/structure/200/5a346d3d07133a667db60de54d35e434/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%2528Cl%2529C%253DC1.png)
