中文别名 | VU 0238429;变构M5调节剂;ML129 |
英文别名 | VU 0238429, allosteric M5 modulator |
CAS号 | 1160247-92-6 |
SMILES | COc1ccc(cc1)CN2c3ccc(cc3C(=O)C2=O)OC(F)(F)F |
Inchi | InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3 |
InchiKey | CKLGZXFOLMHCMC-UHFFFAOYSA-N |
分子式 Formula | C17H12F3NO4 |
分子量 Molecular Weight | 351.277 |
闪点 FP | 231.8±31.5 ℃ |
沸点 Boiling point | 459.7±55.0 ℃ at 760 mmHg |
Polarizability极化度 | 32.0±0.5 10-24cm3 |
密度 Density | 1.4±0.1 g/cm3 |
蒸汽压 Vapor Pressure | 0.0±1.1 mmHg at 25℃ |
溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 150 mg/mL(427.01 mM)H2O< 0.1 mg/mL(insoluble)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
性状 | 淡黄色至橙色固体 |
储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |