375846-25-6 (氟伐醇酮,(6E)-7-3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl-5-hydroxy-3-oxo-6-heptenoic Acid 1,1-Dimethylethyl Ester)

CAS号:
375846-25-6
中文名称:
氟伐醇酮
英文名称:
(6E)-7-3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl-5-hydroxy-3-oxo-6-heptenoic Acid 1,1-Dimethylethyl Ester
分子式:
C28H32FNO4
分子量:
465.556391716003
简介:
氟伐醇酮又称(E)-7-[3'-(4''-氟苯基)-1'-异丙基吲哚-2'-基]-3-羟基-5-氧代-6-庚烯酸叔丁酯,它是一种化工中间体,其分子式为C28H32FNO4,分子量为465.56。

氟伐醇酮(375846-25-6)名称与标识符

名称

中文别名:
氟伐醇酮;(E)-7-[3'-(4''-氟苯基)-1'-异丙基吲哚-2'-基]-3-羟基-5-氧代-6-庚烯酸叔丁酯;氟伐他汀中间体;
英文别名:
t-Butyl(E)-7-[3'-(4''-fluorophenyl)-1'methylethyl-indol-2'-yl]-3-hydroxy-5-oxo-6-heptenoate;t-Butyl(E)-7-[3'-(4''-fluorophenyl)-1'methylethyl-indol-2'yl]-3hydroxy-5-oxo-6-heptenoate;tert-Butyl (E)-7-[3'-(4'-fluorophenyl)-1'-methylethyl-indol-2'-yl]-3-hydroxy-5-oxo-6-heptenoate;(6E)-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoic Acid 1,1-Dimethylethyl Ester;tert-Butyl (E)-7-[3'-(4''-fluorophenyl)-1'-methylethyl-indol-2'-yl]-3-hydroxy-5-oxo-6-heptenoate;(E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxohept-6-enoic acid tert-butyl ester;7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoic acid-1,1-dimethylethyl ester;tert-butyl (+/-)-(E)-7-[3-(4-fluoro-phenyl)-1-(1-methyl-ethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-hept-6-enoate;tButyl(E)7[3'(4''fluorophenyl)1'methylethylindol2'yl]3hydroxy5oxo6heptenoate;DTXSID101110267;7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoic acid 1,1-dimethylethyl ester;(E)-tert-Butyl 7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-5-hydroxy-3-oxohept-6-enoate;tert-Butyl(E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate;fhh: fluvastatin intermediate;tert-butyl (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-5-hydroxy-3-oxohept-6-enoate;375846-25-6;SCHEMBL6773187;194934-95-7;AKOS015897014;tert-butyl (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-5-hydroxy-3-oxohept-6-enoate;A823770;TERT-BUTYL (E)-7-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-INDOL-2-YL]-5-HYDROXY-3-OXO-6-HEPTENOATE;BCP28674;AC-26813;O-tert-Butyl-3-keto Fluvastatin;(E)-tert-Butyl7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-5-hydroxy-3-oxohept-6-enoate;SCHEMBL4906083;1,1-Dimethylethyl (6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate;2-Methyl-2-propanyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate;

标识符

InChIKey:
CHEYRYWZYKYUHU-CCEZHUSRSA-N
Inchi:
1S/C28H32FNO4/c1-18(2)30-24-9-7-6-8-23(24)27(19-10-12-20(29)13-11-19)25(30)15-14-21(31)16-22(32)17-26(33)34-28(3,4)5/h6-15,18,21,31H,16-17H2,1-5H3/b15-14+
SMILES:
FC1C=CC(=CC=1)C1C2C=CC=CC=2N(C=1/C=C/C(CC(CC(=O)OC(C)(C)C)=O)O)C(C)C

氟伐醇酮(375846-25-6)物化性质

实验特性

  • LogP : 6.09340
  • PSA : 68.53000
  • 折射率 : 1.552
  • 沸点 : 647.7±55.0 °C at 760 mmHg
  • 熔点 : Not available
  • 蒸气压 : 0.0±2.0 mmHg at 25°C
  • 闪点 : 345.5±31.5 °C
  • 密度 : 1.1±0.1 g/cm3

计算特性

  • 精确分子量 : 465.23200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 10
  • 同位素质量 : 465.23153666g/mol
  • 重原子数量 : 34
  • 复杂度 : 722
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.9
  • 拓扑分子极性表面积 : 68.5Ų