1-[3-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[(3S)-2-oxooxolan-3-yl]urea
Structure Info
- Chemspace ID
- CSSB21332059400 (In-Stock Building Blocks)
- IUPAC Name
- 1-[3-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[(3S)-2-oxooxolan-3-yl]urea
- Mol formula
- C18H23BF2N2O6
- Mol weight
- 412 Da
- Catalog Number(s)
- BBLS21332059400, EN300-54973666, bbls21332059400
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.45
- Heavy atoms count
- 29
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.555
- Polar surface area (Å)
- 95
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
![Chemical structure of 1-[3-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[(3S)-2-oxooxolan-3-yl]urea (C18H23BF2N2O6) - CSSB21332059400](/st/structure/200/5a63ff6f4eaced7b127bd59a10657d57/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528OC%2528F%2529F%2529%253DCC%2528NC%2528%253DO%2529N%255BC%2540H%255D2CCOC2%253DO%2529%253DC1.png "C18H23BF2N2O6")
- Zoom the structure
- CSSB21332059400
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 | 767.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 804.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 840.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 877.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 914.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,790.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 2,650.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 3,929.00 |
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Substructure Analogs
![Chemical structure of 3-[(3S)-2-oxooxolan-3-yl]-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenyl]urea - CSSB21332131032](/st/structure/200/a56ae93ed4f1b161c73688aa7d10aa3b/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528OC%2528F%2529%2528F%2529F%2529%253DCC%2528NC%2528%253DO%2529N%255BC%2540H%255D2CCOC2%253DO%2529%253DC1.png)
Similarity Analogs
![Chemical structure of 1-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[(3S)-2-oxooxolan-3-yl]urea - CSSB21332156296](/st/structure/200/d6901d0496ca50326093ac591ae1a94f/COC1%253DCC%2528%253DCC%2528NC%2528%253DO%2529N%255BC%2540H%255D2CCOC2%253DO%2529%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
![Chemical structure of 3-[(3S)-2-oxooxolan-3-yl]-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21245997292](/st/structure/200/34b3cd3741b0bdb57169b12c14cc2dfb/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528NC%2528%253DO%2529N%255BC%2540H%255D2CCOC2%253DO%2529%253DCC%253DC1.png)
![Chemical structure of 3-[(3S)-2-oxooxolan-3-yl]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21245997734](/st/structure/200/58e80b9f6d8b900747ebf28b0e78857e/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%253DC%2528NC%2528%253DO%2529N%255BC%2540H%255D2CCOC2%253DO%2529C%253DC1.png)
![Chemical structure of 3-cyclopropyl-1-[3-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21245996111](/st/structure/200/c7af06c722576aebc844419e5f1dc031/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528OC%2528F%2529F%2529%253DCC%2528NC%2528%253DO%2529NC2CC2%2529%253DC1.png)
![Chemical structure of 3-cyclobutyl-1-[3-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332112895](/st/structure/200/98fb113c71d5dab2eed4df12842f43e0/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528OC%2528F%2529F%2529%253DCC%2528NC%2528%253DO%2529NC2CCC2%2529%253DC1.png)
![Chemical structure of 1-[3-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(oxetan-3-yl)urea - CSSB21332112897](/st/structure/200/8a930e574ee86ce7507720bbd22b609e/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528OC%2528F%2529F%2529%253DCC%2528NC%2528%253DO%2529NC2COC2%2529%253DC1.png)
