1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,4-dimethylpentan-3-yl)urea
Structure Info
- Chemspace ID
- CSSB21332064636 (In-Stock Building Blocks)
- IUPAC Name
- 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,4-dimethylpentan-3-yl)urea
- Mol formula
- C20H32BClN2O3
- Mol weight
- 395 Da
- Catalog Number(s)
- BBLS21332064636, EN300-54952882, bbls21332064636
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.22
- Heavy atoms count
- 27
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.65
- Polar surface area (Å)
- 60
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
![Chemical structure of 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,4-dimethylpentan-3-yl)urea (C20H32BClN2O3) - CSSB21332064636](/st/structure/200/e9baab01bfb6bc37ce2ca7bace25d2b0/CC%2528C%2529C%2528NC%2528%253DO%2529NC1%253DCC%2528%253DCC%2528Cl%2529%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1%2529C%2528C%2529C.png "C20H32BClN2O3")
- Zoom the structure
- CSSB21332064636
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 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea - CSSB21332175500](/st/structure/200/b6956fa464e30df8b95dede21254530d/CC1%2528C%2529C%2528NC%2528%253DO%2529NC2%253DCC%2528%253DCC%2528Cl%2529%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529C1%2528C%2529C.png)
Similarity Analogs
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![Chemical structure of 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(propan-2-yl)urea - CSSB15101237355](/st/structure/200/6c2be2a9f4e22f9a6c7e781fcd4fa368/CC%2528C%2529NC%2528%253DO%2529NC1%253DCC%2528Cl%2529%253DCC%2528%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
![Chemical structure of 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(dichloromethyl)urea - CSSB21245996547](/st/structure/200/394108b58d9e8c0e3b63789ee427630e/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528NC%2528%253DO%2529NC%2528Cl%2529Cl%2529%253DCC%2528Cl%2529%253DC1.png)
![Chemical structure of 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[(1r,4r)-4-methylcyclohexyl]urea - CSSB21332161356](/st/structure/200/255a5994b9ebdff05481fb30a2a1f072/C%255BC%2540H%255D1CC%255BC%2540%2540H%255D%2528CC1%2529NC%2528%253DO%2529NC1%253DCC%2528%253DCC%2528Cl%2529%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
![Chemical structure of 3-(butan-2-yl)-1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB15001847584](/st/structure/200/78a8f1c8889413290d7d03eb22735da4/CCC%2528C%2529NC%2528%253DO%2529NC1%253DCC%2528Cl%2529%253DCC%2528%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
![Chemical structure of 3-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(3,5-dichlorophenyl)urea - CSSB21332161988](/st/structure/200/998d5aa4a70474944d0068b30ab222f4/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528Cl%2529%253DCC%2528Cl%2529%253DC2%2529%253DCC%2528Cl%2529%253DC1.png)
![Chemical structure of 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-cyclopropylurea - CSSB15022808597](/st/structure/200/eb50110fd79cc9ed5c490a5d84274b6c/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528Cl%2529%253DCC%2528NC%2528%253DO%2529NC2CC2%2529%253DC1.png)
