![N-[1-[(3R)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl]-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]- 2-Propenamide structure, CAS 2031255-27-1](/structures/210000/197567_1_2031255_27_1.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2031255-27-1 |
| Catalog No. | 2A-1195841 |
| Chinese Name | N6-AcryloylIbrutinib |
| Molecular Formula | C25H24O2N6 |
| Molecular Weight | 440.5 |
| Purity | 98.00 |
| PubChem ID | 138409767 |
| MDL Number | MFCD28385226 |
| SMILES | C=CC(=O)Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(C(=O)C=C)C1 |
| InChI | InChI=1S/C28H26N6O3/c1-3-23(35)31-27-25-26(19-12-14-22(15-13-19)37-21-10-6-5-7-11-21)32-34(28(25)30-18-29-27)20-9-8-16-33(17-20)24(36)4-2/h3-7,10-15,18,20H,1-2,8-9,16-17H2,(H,29,30,31,35)/t20-/m1/s1 |
| InChI Key | MEPHIAOJXIXZOG-HXUWFJFHSA-N |
| MSDS | msds/197567_1_2031255_27_1.pdf |
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