5-(10-ethyldodecyloxycarbonyl)pentylammonium 5-(10-ethyldodecyloxycarbonyl)pentylcarbamate | 1019642-41-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-(10-ethyldodecyloxycarbonyl)pentylammonium 5-(10-ethyldodecyloxycarbonyl)pentylcarbamate
• CAS: 1019642-41-1
• 化学式: C₂₀H₄₁NO₂*C₂₁H₄₁NO₄
• 分子量: 699.112
• InChiKey: QUAYPUANICDTRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.52
• 重原子数：
  49.0
• 可旋转键数：
  35.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  127.95
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  10-ethyldodecyl 6-aminohexanoate 、 二氧化碳 以 乙醚 为溶剂， 反应 0.33h， 生成 5-(10-ethyldodecyloxycarbonyl)pentylammonium 5-(10-ethyldodecyloxycarbonyl)pentylcarbamate
  参考文献：
  名称：

  Transkarbams with terminal branching as transdermal permeation enhancers

  摘要：

  Transkarbams (T) represent novel group of highly active, non-toxic transdermal permeation enhancers. This study was focused on the influence of small symmetrical terminal branching on their enhancing activity. Series of T with terminal methyl or ethyl branching was prepared and their permeation-enhancing activity was compared to that of their linear analogues. The results showed completely a different behaviour from similarly branched alcohols, supporting the key role of the ammonium-carbamate polar head in the enhancing activity of T. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.040