| 1426131-40-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1426131-40-9
• 化学式: C₁₇H₁₄N₂*C₄₈H₈₀O₄₀
• 分子量: 1543.45
• InChiKey: BPAXQHBRGMGTHK-SMTXKKGASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.17
• 重原子数：
  107.0
• 可旋转键数：
  10.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  664.78
• 氢给体数：
  26.0
• 氢受体数：
  40.0

反应信息

• 作为产物：
  描述：

  3,3'-二吲哚甲烷 、 γ-环糊精 以 甲醇 、 aq. phosphate buffer 为溶剂， 生成
  参考文献：
  名称：

  Studies on aqueous solubility of 3,3′-diindolylmethane derivatives using cyclodextrin inclusion complexes

  摘要：

  The supramolecular interaction of 3,3'-diindolylmethane (DIM) and its derivatives with alpha-, beta-, and gamma-cyclodextrins (CDs) has been investigated to improve their aqueous solubility. A series of complexes of alpha-, beta-, and gamma-CDs with DIMs were prepared and their inclusion complexation behavior in solution phase assessed by fluorescence, UV-visible spectroscopy and circular dichroism. Circular dichroism spectra revealed that incorporation of DIMs in the chiral environment of the CDs affecting their electric transitions leading to the development of induced circular dichroism bands in the near UV region. A linear increase of aqueous solubility of DIMs in presence of CDs was observed from their phase-solubility diagrams indicating the formation of soluble inclusion complexes. According to the continuous variation method a 1:1 stoichiometry has been proposed for DIM cyclodextrins complexes. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.09.036