3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4H-1,2,4-triazole
Structure Info
- Chemspace ID
- CSSB00021308312 (In-Stock Building Blocks)
- MFCD
- MFCD24039957, MFCD24039957
- IUPAC Name
- 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4H-1,2,4-triazole
- Mol formula
- C14H18BN3O2
- Mol weight
- 271 Da
- Catalog Number(s)
- ArZ-UP489769, BBLS00021308312, BBV-397478397, BBV-397483166, BBV-95799640, CSC021308312, EN300-20786567, FCH6926932, Z3301561332, ZX-NM298398, a6_29343_17659, bbls00021308312
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.48
- Heavy atoms count
- 20
- Rotatable bond count
- 2
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 60
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
![Chemical structure of 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4H-1,2,4-triazole (C14H18BN3O2) - CSSB00021308312](/st/structure/200/1dac802b638bb4826404a11e5b9b0f4b/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%253DCC%2528%253DC1%2529C1%253DNN%253DCN1.png "C14H18BN3O2")
- Zoom the structure
- CSSB00021308312
Items Overall 31 items from 5 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 105.63 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 144.32 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 197.00 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 253.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 315.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 186.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 277.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 396.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 624.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 800.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 1,568.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 5 g | 2,318.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 10 g | 3,438.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 50 mg | 186.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 100 mg | 277.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 250 mg | 396.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 500 mg | 624.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 1 g | 800.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 2.5 g | 1,568.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 186.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 277.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 396.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 624.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 1 g | 800.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 2.5 g | 1,568.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 5 g | 2,318.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 105.63 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 144.32 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 197.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 253.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 315.00 |
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Substructure Analogs
![Chemical structure of 1-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-1,2,4-triazole - CSSB03555167085](/st/structure/200/3f7925c285a662d4dd331cf85cfc4b61/Cn1cnc%2528n1%2529c2cccc%2528c2%2529B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3.png)
![Chemical structure of 1,5-dimethyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-1,2,4-triazole - CSSB03559998885](/st/structure/200/0a592d5b80b0bab7de49704299052087/Cc1nc%2528nn1C%2529c2cccc%2528c2%2529B3OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O3.png)
Similarity Analogs
![Chemical structure of 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4H-1,2,4-triazole - CSSB00010769877](/st/structure/200/1c2d34b627b8c7c3d46a9baaba39ce26/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%253DC%2528C%253DC1%2529C1%253DNN%253DCN1.png)
![Chemical structure of 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole - CSSB00000688913](/st/structure/200/0fcc63797e9cdf6eef3aa4b5797ee2a8/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%253DCC%2528%253DC1%2529C1%253DNC%253DCN1.png)
![Chemical structure of 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-thiadiazole - CSSB03552306897](/st/structure/200/2e677ca884259461fda77c1ef79a2177/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529c2cccc%2528c2%2529c3nncs3.png)
![Chemical structure of 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole - CSSB00010144809](/st/structure/200/493e98023a91f6d044789a829f1f6afd/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%253DCC%2528%253DC1%2529C1%253DNN%253DCO1.png)
![Chemical structure of 5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-1,2,3,4-tetrazole - CSSB00010286267](/st/structure/200/8976e9e4d7863e02933a2102ab445500/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%253DCC%2528%253DC1%2529C1%253DNNN%253DN1.png)
![Chemical structure of 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-oxazole - CSSB06584797241](/st/structure/200/92b2ba1490d6c90aef6f0fcf14cc6372/CC1%2528C%2529OB%2528C2%253DCC%2528C3%253DNOC%253DC3%2529%253DCC%253DC2%2529OC1%2528C%2529C.png)
![Chemical structure of 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole - CSSB00010365631](/st/structure/200/2a3b8b46e31bdb18ac6f78e33933976f/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%253DCC%2528%253DC1%2529C1%253DNC%253DCS1.png)
