171009-07-7
中文名稱
CCT 018159
英文名稱
CCT 018159
CAS
171009-07-7
分子式
C20H20N2O4
分子量
352.38
MOL 文件
171009-07-7.mol
更新日期
2026/05/28 12:19:41
171009-07-7 結構式
基本信息
中文別名
化合物 T21872 英文別名
CCT 018159HSP90 Inhibitor, CCT018159 - CAS 171009-07-7 - Calbiochem
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethyl-1,3-benzenediol
1,3-Benzenediol, 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethyl-
物理化學性質
沸點547.3±50.0 °C(Predicted)
密度1.322±0.06 g/cm3(Predicted)
儲存條件Store at +4°C
溶解度≤30mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
酸度系數(shù)(pKa)8.84±0.48(Predicted)
形態(tài)白色固體
顏色White to off-white
水溶解性water: 1.7mg/mL
DMSO: 35mg/mL
ethanol: 35mg/mL
DMSO: 35mg/mL
ethanol: 35mg/mL
InChI1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)
InChIKeyOWPMENVYXDJDOW-UHFFFAOYSA-N
SMILES[nH]1nc(c(c1C)c3cc4c(cc3)OCCO4)c2c(cc(c(c2)CC)O)O
