![(3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide 化学構造式](https://www.chemicalbook.com/CAS/20180702/GIF/1353644-70-8.gif)
(3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide
化学名:(3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide
CAS番号.1353644-70-8
英語名:(3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide
CBNumberCB23142246
MFC25H26N6O2
MW442.51
MOL File1353644-70-8.mol
(3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide物理性質
| 沸点 | 675.6±55.0 °C(Predicted) |
| 比重(密度) | 1.35±0.1 g/cm3(Predicted) |
| 貯蔵温度 | Store at -20°C |
| 溶解性 | DMSO: 5 mg/mL (11.30 mM) |
| 酸解離定数(Pka) | 13.59±0.20(Predicted) |
| 外見 | Solid |
| 色 | White to off-white |
| InChIKey | FSXCKIBROURMFT-VGSWGCGISA-N |
| SMILES | N1(C)CC[C@]2([H])CN(C(NC3C(OC)=CC4C(C=3)=C(NC3=CC=CC(C#C)=C3)N=CN=4)=O)C[C@]12[H] |