3-(4-phenoxyphenyl)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]-4,5,7,9,13-pentaazatricyclo[7.4.0.0²,⁶]trideca-1(13),2(6),3,7-tetraen-12-one
Structure Info
- Chemspace ID
- CSSB00102518468 (In-Stock Building Blocks)
- CAS
- 1917333-91-5
- MFCD
- MFCD34646134, MFCD18432315
- IUPAC Name
- 3-(4-phenoxyphenyl)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]-4,5,7,9,13-pentaazatricyclo[7.4.0.0²,⁶]trideca-1(13),2(6),3,7-tetraen-12-one
- Mol formula
- C28H26N6O3
- Mol weight
- 495 Da
- Catalog Number(s)
- 1917333-91-5, AA01XFZR, AG01XG2J, APB1917333915, AR01XGRJ, BD01578015, BG39891, BO39891, CS-0167157, CSC102518468, EC01XI8B, F82876, F988362, HY-Z5024, O858985, OR1005032, ST01XHJB, TX01XH87, TYD-05128, W163223, Y1235137, Y5011900
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.23
- Heavy atoms count
- 37
- Rotatable bond count
- 5
- Number of rings
- 6
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 92
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 0
![Chemical structure of 3-(4-phenoxyphenyl)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]-4,5,7,9,13-pentaazatricyclo[7.4.0.0²,⁶]trideca-1(13),2(6),3,7-tetraen-12-one (C28H26N6O3) - CSSB00102518468](/st/structure/200/87d149772faa2ed6626553b0bc97174b/C%253DCC%2528%253DO%2529N1CCC%255BC%2540H%255D%2528C1%2529N1N%253DC%2528C2%253DC1N%253DCN1CCC%2528%253DO%2529N%253DC21%2529C1%253DCC%253DC%2528OC2%253DCC%253DCC%253DC2%2529C%253DC1.png "C28H26N6O3")
- Zoom the structure
- CSSB00102518468
Items Overall 19 items from 10 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| ChemScene CN | 5 days | China To: | 98 | 50 mg | 217.00 | |
Description: Ibrutinib impurity 23; CAS: 1917333-91-5 | ||||||
| 1st Scientific LLC | 7 days | United States To: | 98 | 5 mg | 100.10 | |
| 1st Scientific LLC | 7 days | United States To: | 98 | 10 mg | 133.10 | |
| 1st Scientific LLC | 7 days | United States To: | 98 | 25 mg | 221.10 | |
| 1st Scientific LLC | 7 days | United States To: | 98 | 50 mg | 325.60 | |
Description: (R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one (Ibrutinib Impurity); CAS: 1917333-91-5 | ||||||
| Angene International Limited | 10 days | China To: | 98 | 50 mg | 166.50 | |
Description: (R)-8-(1-Acryloylpiperidin-3-Yl)-10-(4-Phenoxyphenyl)-3,4-Dihydropyrazolo[4,3-E]Pyrimido[1,2-C]Pyrimidin-2(8H)-One; CAS: 1917333-91-5 | ||||||
| Advanced ChemBlocks CN | 10 days | China To: | 97 | 50 mg | 265.00 | |
| Advanced ChemBlocks CN | 10 days | China To: | 97 | 100 mg | 475.00 | |
Description: (R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one (Ibrutinib Impurity); CAS: 1917333-91-5 | ||||||
| Astatech CN | 10 days | China To: | 95 | 50 mg | 302.50 | |
Description: (R)-8-(1-ACRYLOYLPIPERIDIN-3-YL)-10-(4-PHENOXYPHENYL)-3,4-DIHYDROPYRAZOLO[4,3-E]PYRIMIDO[1,2-C]PYRIMIDIN-2(8H)-ONE; CAS: 1917333-91-5 | ||||||
| A2B Chem | 12 days | United States To: | 98 | 5 mg | 115.00 | |
| A2B Chem | 12 days | United States To: | 98 | 10 mg | 154.10 | |
| A2B Chem | 12 days | United States To: | 98 | 50 mg | 238.05 | |
Description: (R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one (Ibrutinib Impurity); CAS: 1917333-91-5 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 98 | 50 mg | 239.20 | |
| Fluorochem CN | 14 days | China To: | 98 | 50 mg | 271.00 | |
Description: (R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one (Ibrutinib Impurity); ; Storage Conditions: ambient storage; Hazard Codes: H302, H315, H319, H335; GHS Pictograms: GHS07; CAS: 1917333-91-5 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 98 | 50 mg | 233.20 | |
Description: (R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one (Ibrutinib Impurity); CAS: 1917333-91-5 | ||||||
| 10X CHEM | TBD | United States To: | 98 | 5 mg | 100.10 | |
| 10X CHEM | TBD | United States To: | 98 | 10 mg | 134.20 | |
| 10X CHEM | TBD | United States To: | 98 | 25 mg | 225.50 | |
| 10X CHEM | TBD | United States To: | 98 | 50 mg | 333.30 | |
Description: (R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one (Ibrutinib Impurity); CAS: 1917333-91-5 | ||||||
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