[4-(6-Butanoyloxy-1-benzothiophen-2-yl)phenyl] butanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: [4-(6-Butanoyloxy-1-benzothiophen-2-yl)phenyl] butanoate
• 化学式: C₂₂H₂₂O₄S
• 分子量: 382.5
• InChiKey: SYBYJURPXYZQIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• [EN] SELECTIVE ESTROGENIC COMPOUNDS<br/>[FR] COMPOSES OESTROGENIQUES SELECTIFS
  申请人：AKZO NOBEL NV

  公开号：WO2000059897A2

  公开（公告）日：2000-10-12

  Disclosed are compounds satisfying structural formula (I) wherein one of R5 or R6 is OR7 and the other is H; R4 and R7 each independently is an ester or a carbonate of lower alkyl, alkenyl or alkynyl, or a benzoyl ester, each optionally substituted with halogen, lower alkyl, methoxy, NO2, CN, CF3; an alkylsulphonyl ester, or an arylsulphonyl ester; or one of R4 and R7 is H; R2, R2', R3, R3' each independently are H, halogen, lower alkyl, lower alkenyl, alkynyl, aryl, methylthio, methoxy, dimethyl amino, NO2, CN, alkyl carbonyl, or CF3; or wherein R2 and R3 form a ring system. The resulting compounds have a desirable selective agonistic profile for estrogen receptor β.