1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4-methoxy-2-methylphenyl)urea
Structure Info
- Chemspace ID
- CSSB21332045969 (In-Stock Building Blocks)
- IUPAC Name
- 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4-methoxy-2-methylphenyl)urea
- Mol formula
- C22H27BF2N2O5
- Mol weight
- 448 Da
- Catalog Number(s)
- BBLS21332045969, EN300-54749248, bbls21332045969
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.18
- Heavy atoms count
- 32
- Rotatable bond count
- 6
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.409
- Polar surface area (Å)
- 78
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4-methoxy-2-methylphenyl)urea (C22H27BF2N2O5) - CSSB21332045969](/st/structure/200/d516365b97cbc08f7af77897beaa0b84/COC1%253DCC%2528C%2529%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DC1.png "C22H27BF2N2O5")
- Zoom the structure
- CSSB21332045969
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 | 683.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 716.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 748.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 781.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 813.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,594.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 2,360.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 3,499.00 |
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Substructure Analogs
![Chemical structure of 3-(2-cyano-4-methoxyphenyl)-1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332137408](/st/structure/200/4ba1d7705a32812025f8781e16761625/COC1%253DCC%2528C%2523N%2529%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DC1.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea - CSSB21332092277](/st/structure/200/4a8d503ca6b551e1e640caa4a3da0ec4/COC1%253DCC%2528%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[2-methyl-4-(trifluoromethoxy)phenyl]urea - CSSB21332092280](/st/structure/200/be16ec546b59b5f47c034b8ef818c476/CC1%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DCC%2528OC%2528F%2529%2528F%2529F%2529%253DC1.png)
Similarity Analogs
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(5-methoxy-2-methylphenyl)urea - CSSB21332093184](/st/structure/200/59b79d8e39f52ce144cc42306922ee7f/COC1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529%253DC%2528C%2529C%253DC1.png)
![Chemical structure of 3-(4-methoxy-2-methylphenyl)-1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CSSB21332086769](/st/structure/200/f19d4479235e3a87ab9f251c2b316cde/COC1%253DCC%2528C%2529%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 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4-methoxy-2-methylphenyl)urea - CSSB21332088139](/st/structure/200/51c7cc28165ffea57394fd04ae245e74/COC1%253DCC%2528C%2529%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 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,4-dimethoxyphenyl)urea - CSSB21332089907](/st/structure/200/258c6334e86ce7a8c43125a4f6636e8a/COC1%253DCC%2528OC%2529%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DC1.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4-fluoro-2-methylphenyl)urea - CSSB21332092402](/st/structure/200/28c43750cd00d3a0b89d6cebe30637d8/CC1%253DC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529C%253DCC%2528F%2529%253DC1.png)
![Chemical structure of 1-[4-(difluoromethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,5-dimethoxyphenyl)urea - CSSB21332116239](/st/structure/200/792faae348b3a2b715f85a2f8575c409/COC1%253DCC%2528NC%2528%253DO%2529NC2%253DCC%2528B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3%2529%253DC%2528OC%2528F%2529F%2529C%253DC2%2529%253DC%2528OC%2529C%253DC1.png)
