1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4-fluoro-2-methylphenyl)urea
Structure Info
- Chemspace ID
- CSSB21332092402 (In-Stock Building Blocks)
- IUPAC Name
- 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4-fluoro-2-methylphenyl)urea
- Mol formula
- C21H24BF3N2O4
- Mol weight
- 436 Da
- Catalog Number(s)
- BBLS21332092402, EN300-54743214, bbls21332092402
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.57
- Heavy atoms count
- 31
- 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-(4-fluoro-2-methylphenyl)urea (C21H24BF3N2O4) - CSSB21332092402](/st/structure/200/28c43750cd00d3a0b89d6cebe30637d8/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%2528F%2529%253DC1.png "C21H24BF3N2O4")
- Zoom the structure
- CSSB21332092402
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-(2-cyano-4-fluorophenyl)-3-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332128565](/st/structure/200/8a634f2235f338ca4d8ab5eb3f301da8/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DC%2528OC%2528F%2529F%2529C%253DCC%2528NC%2528%253DO%2529NC2%253DC%2528C%253DC%2528F%2529C%253DC2%2529C%2523N%2529%253DC1.png)
![Chemical structure of 3-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]urea - CSSB21332140628](/st/structure/200/6710edccf786de2392a38e9bc70e385e/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DC%2528OC%2528F%2529F%2529C%253DCC%2528NC%2528%253DO%2529NC2%253DC%2528C%253DC%2528F%2529C%253DC2%2529C%2528F%2529%2528F%2529F%2529%253DC1.png)
Similarity Analogs
![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-methylphenyl)urea - 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)
![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-fluoro-2-methylphenyl)-3-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332091662](/st/structure/200/fa39228f769579b5d541aa2f2adf7412/CC1%253DC%2528C%253DC%2528NC%2528%253DO%2529NC2%253DC%2528C%2529C%253DC%2528F%2529C%253DC2%2529C%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4-methoxy-2-methylphenyl)urea - CSSB21332045969](/st/structure/200/d516365b97cbc08f7af77897beaa0b84/COC1%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-[2-methyl-4-(trifluoromethyl)phenyl]urea - CSSB21332113329](/st/structure/200/62bce85a21cfbfc3e0ba964228da09d6/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%2528%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(2,4-difluorophenyl)urea - CSSB21332085863](/st/structure/200/d0f0fa4f7d62e9234bc45aaa9a2882b9/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DC%2528OC%2528F%2529F%2529C%253DCC%2528NC%2528%253DO%2529NC2%253DC%2528F%2529C%253DC%2528F%2529C%253DC2%2529%253DC1.png)
