1-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(prop-2-yn-1-yl)urea
Structure Info
- Chemspace ID
- CSSB03565509134 (In-Stock Building Blocks)
- IUPAC Name
- 1-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(prop-2-yn-1-yl)urea
- Mol formula
- C17H23BN2O3
- Mol weight
- 314 Da
- Catalog Number(s)
- BBLS03565509134, BBV-410317946, EN300-54940055, bbls03565509134
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.94
- Heavy atoms count
- 23
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.47
- Polar surface area (Å)
- 60
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
![Chemical structure of 1-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(prop-2-yn-1-yl)urea (C17H23BN2O3) - CSSB03565509134](/st/structure/200/095050e98bdcdef9dd65d73b2744b5cc/Cc1c%2528NC%2528%253DO%2529NCC%2523C%2529cccc1B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2.png "C17H23BN2O3")
- Zoom the structure
- CSSB03565509134
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 |
For a custom pack size or bulk
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Substructure Analogs
![Chemical structure of 3-(but-2-yn-1-yl)-1-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB03575178533](/st/structure/200/5a2d3090aec70b8751bd0b5ab8f460b0/CC%2523CCNC%2528%253DO%2529Nc1cccc%2528B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2%2529c1C.png)
![Chemical structure of 1-[5-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(prop-2-yn-1-yl)urea - CSSB21245995420](/st/structure/200/a42967cf53e98a0f3c38983036876194/CC1%253DC%2528NC%2528%253DO%2529NCC%2523C%2529C%253DC%2528F%2529C%253DC1B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
![Chemical structure of 1-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2-methylbut-3-yn-2-yl)urea - CSSB03587646571](/st/structure/200/2fdfc1bee805d057c5aecceaedcf15cf/Cc1c%2528NC%2528%253DO%2529NC%2528C%2529%2528C%2529C%2523C%2529cccc1B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2.png)
![Chemical structure of 3-(but-2-yn-1-yl)-1-[5-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21245995982](/st/structure/200/7ab31525b27c422b0a8f0ede1fcc1c52/CC%2523CCNC%2528%253DO%2529NC1%253DC%2528C%2529C%2528%253DCC%2528F%2529%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
![Chemical structure of 1-[5-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2-methylbut-3-yn-2-yl)urea - CSSB21245995977](/st/structure/200/06273e982f3afceda38efb4a66002694/CC1%253DC%2528NC%2528%253DO%2529NC%2528C%2529%2528C%2529C%2523C%2529C%253DC%2528F%2529C%253DC1B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
Similarity Analogs
![Chemical structure of 1-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(prop-2-yn-1-yl)urea - CSSB03567088687](/st/structure/200/5b11c083089f298fd789ef6453134a93/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529c2cccc%2528NC%2528%253DO%2529NCC%2523C%2529c2F.png)
![Chemical structure of 3-(prop-2-yn-1-yl)-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB02519445521](/st/structure/200/52e3f686436917c43b054e64755a5d16/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%253DCC%253DC1NC%2528%253DO%2529NCC%2523C.png)
![Chemical structure of 3-(but-3-yn-1-yl)-1-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB03575178532](/st/structure/200/8bceabf562eb88a2f0cb3ea6ade2d876/Cc1c%2528NC%2528%253DO%2529NCCC%2523C%2529cccc1B2OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O2.png)
![Chemical structure of 3-(prop-2-yn-1-yl)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea - CSSB21246004152](/st/structure/200/232baf61756472f30a3cbe77790e317f/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%253DCC2%253DC%2528NC%2528%253DO%2529NCC%2523C%2529C%253DCC%253DC12.png)
![Chemical structure of 1-(2-ethynylphenyl)-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332150547](/st/structure/200/710db07ba3913c3c2aa6d8f7bd0b3a3a/CC1%253DC%2528NC%2528%253DO%2529NC2%253DC%2528C%253DCC%253DC2%2529C%2523C%2529C%253DCC%253DC1B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
![Chemical structure of 1-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(prop-2-yn-1-yl)urea - CSSB06746827577](/st/structure/200/2a13e6f39dd85bfa5d5ccef49195a8cc/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529c2cccc%2528NC%2528%253DO%2529NCC%2523C%2529c2Cl.png)
