3-(2-chloro-3-methylphenyl)-1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Structure Info
- Chemspace ID
- CSSB21332056840 (In-Stock Building Blocks)
- IUPAC Name
- 3-(2-chloro-3-methylphenyl)-1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
- Mol formula
- C21H24BClF2N2O4
- Mol weight
- 453 Da
- Catalog Number(s)
- BBLS21332056840, EN300-54972504, bbls21332056840
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.95
- 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 3-(2-chloro-3-methylphenyl)-1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (C21H24BClF2N2O4) - CSSB21332056840](/st/structure/200/895efd895758c2bef90294c113bcaca6/CC1%253DC%2528Cl%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 "C21H24BClF2N2O4")
- Zoom the structure
- CSSB21332056840
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 3-(2,6-dichloro-3-methylphenyl)-1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332088041](/st/structure/200/f5b0db963785da6238ee9ae2d4909b88/CC1%253DC%2528Cl%2529C%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)
![Chemical structure of 1-[2-chloro-3-(trifluoromethyl)phenyl]-3-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332175666](/st/structure/200/d847f8113b9722d24845003c15c3de5a/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DC%2528OC%2528F%2529F%2529C%253DCC%2528NC%2528%253DO%2529NC2%253DC%2528Cl%2529C%2528%253DCC%253DC2%2529C%2528F%2529%2528F%2529F%2529%253DC1.png)
Similarity Analogs
![Chemical structure of 1-(2-chloro-3-fluorophenyl)-3-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332138495](/st/structure/200/33d256f7ea313432e7923958eb06d715/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DC%2528OC%2528F%2529F%2529C%253DCC%2528NC%2528%253DO%2529NC2%253DC%2528Cl%2529C%2528F%2529%253DCC%253DC2%2529%253DC1.png)
![Chemical structure of 1-(2,3-dichlorophenyl)-3-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332044813](/st/structure/200/b37f73c87c5c864cc9d9f41d4a8d718c/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DC%2528OC%2528F%2529F%2529C%253DCC%2528NC%2528%253DO%2529NC2%253DC%2528Cl%2529C%2528Cl%2529%253DCC%253DC2%2529%253DC1.png)
![Chemical structure of 3-(2-chloro-3-methylphenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332062727](/st/structure/200/251c7ad76167d853f389e1f93c34d2a9/CC1%253DC%2528Cl%2529C%2528NC%2528%253DO%2529NC2%253DCC%2528F%2529%253DC%2528C%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529%253DCC%253DC1.png)
![Chemical structure of 3-(2-chloro-3-methylphenyl)-1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332064992](/st/structure/200/646ae4db876a266790b8ff5fca50b4ca/CC1%253DC%2528Cl%2529C%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528C%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-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-(2-chloro-3-nitrophenyl)-3-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332091004](/st/structure/200/b9bcb259d24e16fc93c8ec9ff7790ce5/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DC%2528OC%2528F%2529F%2529C%253DCC%2528NC%2528%253DO%2529NC2%253DC%2528Cl%2529C%2528%253DCC%253DC2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529%253DC1.png)
![Chemical structure of 3-(3-chloro-2,4-dimethylphenyl)-1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332086369](/st/structure/200/cf1662c2978592103f05d28914b4aad5/CC1%253DC%2528Cl%2529C%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)
