1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(3,5-dimethylphenyl)urea
Structure Info
- Chemspace ID
- CSSB21332161894 (In-Stock Building Blocks)
- IUPAC Name
- 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(3,5-dimethylphenyl)urea
- Mol formula
- C21H26BClN2O3
- Mol weight
- 401 Da
- Catalog Number(s)
- BBLS21332161894, EN300-54952912, bbls21332161894
- 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 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(3,5-dimethylphenyl)urea (C21H26BClN2O3) - CSSB21332161894](/st/structure/200/c01c110b796d9886f2bcded0302d9fe8/CC1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528%253DCC%2528Cl%2529%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529%253DCC%2528C%2529%253DC1.png "C21H26BClN2O3")
- Zoom the structure
- CSSB21332161894
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-(3,4,5-trimethylphenyl)urea - CSSB21332155758](/st/structure/200/3d679a68981893d6d6d0600e2ebb94a4/CC1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528%253DCC%2528Cl%2529%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529%253DCC%2528C%2529%253DC1C.png)
![Chemical structure of 1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332153988](/st/structure/200/0d7575c351a68b6800b3bff80beb3adb/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528%253DCC%2528%253DC2%2529C%2528F%2529%2528F%2529F%2529C%2528F%2529%2528F%2529F%2529%253DCC%2528Cl%2529%253DC1.png)
Similarity Analogs
![Chemical structure of 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(3-chloro-5-methylphenyl)urea - CSSB21332149545](/st/structure/200/058ee67682a059bd2aecdf7795c151cf/CC1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528%253DCC%2528Cl%2529%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%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-(3-fluoro-5-methylphenyl)urea - CSSB21332161063](/st/structure/200/55a3a03f8f2fbf638536d0403e9d9687/CC1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528%253DCC%2528Cl%2529%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529%253DCC%2528F%2529%253DC1.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-(3-methylphenyl)urea - CSSB21332064447](/st/structure/200/ced10640657a9addc28c635cb3381479/CC1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528%253DCC%2528Cl%2529%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529%253DCC%253DC1.png)
![Chemical structure of 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4-methylphenyl)urea - CSSB21332162666](/st/structure/200/f1a837c8d857befc011974a01fdb7de3/CC1%253DCC%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528%253DCC%2528Cl%2529%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529C%253DC1.png)
![Chemical structure of 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(5-methylpyridin-3-yl)urea - CSSB21332162668](/st/structure/200/fe820680f7e6f2812f9c0fe4186afafc/CC1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528%253DCC%2528Cl%2529%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529%253DCN%253DC1.png)
![Chemical structure of 3-(2-chloro-4-methylphenyl)-1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332149542](/st/structure/200/74a824444396b49fd0d6ff32fa755fd6/CC1%253DCC%2528Cl%2529%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528%253DCC%2528Cl%2529%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529C%253DC1.png)
