3-(4-acetylphenyl)-1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Structure Info
- Chemspace ID
- CSSB21332149319 (In-Stock Building Blocks)
- IUPAC Name
- 3-(4-acetylphenyl)-1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
- Mol formula
- C22H27BN2O4
- Mol weight
- 394 Da
- Catalog Number(s)
- BBLS21332149319, EN300-54940499, bbls21332149319
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.14
- Heavy atoms count
- 29
- Rotatable bond count
- 4
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.36363636363636
- Polar surface area (Å)
- 77
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
![Chemical structure of 3-(4-acetylphenyl)-1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (C22H27BN2O4) - CSSB21332149319](/st/structure/200/a6112b4de1374513d1132a088f8b94fc/CC%2528%253DO%2529C1%253DCC%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528C%2529%253DC%2528C%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529C%253DC1.png "C22H27BN2O4")
- Zoom the structure
- CSSB21332149319
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-(4-benzoylphenyl)-3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332158895](/st/structure/200/754759bd2721967532c95e259cca6b76/CC1%253DC%2528C%253DCC%2528NC%2528%253DO%2529NC2%253DCC%253DC%2528C%253DC2%2529C%2528%253DO%2529C2%253DCC%253DCC%253DC2%2529%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
Similarity Analogs
![Chemical structure of 3-(3-acetylphenyl)-1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332063137](/st/structure/200/8e5f7e0d1de8f1880904b6d9addd8879/CC%2528%253DO%2529C1%253DCC%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528C%2529%253DC%2528C%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529%253DC1.png)
![Chemical structure of 3-(4-acetylphenyl)-1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332092655](/st/structure/200/60f9fe6de361bc5d786e7c1809d9c906/CC%2528%253DO%2529C1%253DCC%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528C%2529C%253DC2%2529C%253DC1.png)
![Chemical structure of 3-(4-acetylphenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332092949](/st/structure/200/a90497110283d59f7dc89ae9a01ac8fb/CC%2528%253DO%2529C1%253DCC%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528F%2529%253DC%2528C%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529C%253DC1.png)
![Chemical structure of 3-(3-chloro-4-methylphenyl)-1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332142917](/st/structure/200/d15a9cf41f2320f853633792a5d02dec/CC1%253DC%2528Cl%2529C%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528C%2529%253DC%2528C%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529C%253DC1.png)
![Chemical structure of 1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4-methylphenyl)urea - CSSB21332158022](/st/structure/200/831fb860cacc222351ce729791faf6dc/CC1%253DCC%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528C%2529%253DC%2528C%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529C%253DC1.png)
![Chemical structure of 3-(3,4-dimethylphenyl)-1-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332161124](/st/structure/200/682a2a4a351c050055175af4a0375e89/CC1%253DC%2528C%2529C%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528C%2529%253DC%2528C%253DC2%2529B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529C%253DC1.png)
