3-(2-chloro-3-methylphenyl)-1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Structure Info
- Chemspace ID
- CSSB21332064992 (In-Stock Building Blocks)
- IUPAC Name
- 3-(2-chloro-3-methylphenyl)-1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
- Mol formula
- C21H26BClN2O3
- Mol weight
- 401 Da
- Catalog Number(s)
- BBLS21332064992, EN300-54938039, bbls21332064992
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.81
- Heavy atoms count
- 28
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.38
- Polar surface area (Å)
- 60
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
![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 (C21H26BClN2O3) - 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 "C21H26BClN2O3")
- Zoom the structure
- CSSB21332064992
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 | 455.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 477.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 498.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 519.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 541.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,063.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 1,572.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 2,331.00 |
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Substructure Analogs
![Chemical structure of 3-(2,6-dichloro-3-methylphenyl)-1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332087940](/st/structure/200/4cc2ff52ec7bcacfdf47c4f15ec26fd2/CC1%253DC%2528Cl%2529C%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528C%2529C%253DC2%2529%253DC%2528Cl%2529C%253DC1.png)
![Chemical structure of 1-[2-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332045844](/st/structure/200/29e3da2bf3bae2c9d4ef4758ae6526d2/CC1%253DC%2528C%253DC%2528NC%2528%253DO%2529NC2%253DC%2528Cl%2529C%2528%253DCC%253DC2%2529C%2528F%2529%2528F%2529F%2529C%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)