Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
化学名:Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
CAS番号.2709672-58-0
英語名:Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
CBNumberCB210987337
MFC15H19N3O3
MW289.34
MOL File2709672-58-0.mol
Methyl (S)-2-(1H-indazole-3-carboxamido)-3,3-dimethylbutanoate物理性質
| 沸点 | 523.1±30.0 °C(Predicted) |
| 比重(密度) | 1.213±0.06 g/cm3(Predicted) |
| 溶解性 | DMF: 12.5 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 10 mg/ml; Ethanol: 3 mg/ml |
| 外見 | A crystalline solid |
| 酸解離定数(Pka) | 11.72±0.46(Predicted) |
| InChI | InChI=1/C15H19N3O3/c1-15(2,3)12(14(20)21-4)16-13(19)11-9-7-5-6-8-10(9)17-18-11/h5-8,12H,1-4H3,(H,16,19)(H,17,18)/t12-/s3 |
| InChIKey | QEXPVGIGOZJEOO-PLAQIDKDNA-N |
| SMILES | C(C1=NNC2=CC=CC=C12)(=O)N[C@@H](C(C)(C)C)C(=O)OC |&1:12,r| |
