| 中文别名 | PAT-1251(cas:2007885-39-2) |
| 英文别名 | PAT-1251,2007885-39-2 |
| CAS号 | 2007885-39-2 |
| SMILES | FC(F)(F)C1=NC(OC2=CC(C(N3C[C@@H](F)[C@H](O)C3)=O)=CC=C2)=CC(CN)=C1 |
| Inchi | InChI=1S/C18H17F4N3O3/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22/h1-6,13-14,26H,7-9,23H2/t13-,14-/m1/s1 |
| InchiKey | ODGXXYXJORZPHE-ZIAGYGMSSA-N |
| 分子式 Formula | C18H17F4N3O3 |
| 分子量 Molecular Weight | 399.34 |
| 闪点 FP | 280.8±30.1 ℃ |
| 沸点 Boiling point | 540.7±50.0 ℃ at 760 mmHg |
| Polarizability极化度 | 36.1±0.5 10-24cm3 |
| 密度 Density | 1.5±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.5 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 130 mg/mL(325.54 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | Solid |
| 储藏条件 Storage conditions | 4℃, stored under nitrogen * In solvent溶液中 : -80℃, 6 months月; -20℃, 1 month月 (stored under nitrogen) |
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