[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate
概要:[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate(CAS 1210881-22-3)是一种化学化合物,分子式为C18H20N2O5,分子量为344.14 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务,支持克级到吨级规格。
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
又称:[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate|EN300-26680891
| 分子式 | C18H20N2O5 |
|---|---|
| 分子量 | 344.14 g/mol |
| LogP | 2.25698 |
| 拓扑极性表面积 | 88.86 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 6 |
| 可旋转键数 | 4 |
| 精确质量 | 344.1372 |
| 重原子数 | 25 |
| 复杂度 | 718.6669 |
化学标识符
| CAS 编号 | 1210881-22-3 |
|---|---|
| SMILES | CN(C(=O)COC(=O)C1=CC2=C(C=C1)OCO2)C3(CCCCC3)C#N |
产品概述
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate(CAS 1210881-22-3),分子式为C18H20N2O5,分子量为344.14 g/mol。IUPAC名:[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate。
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate化学性质概览
属性洞察:[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate的XLogP值为2.25698,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 TPSA为88.86 Ų,处于中等极性范围,在透过性和溶解性之间取得平衡。 根据Lipinski五规则,[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate有0个氢键供体和6个氢键受体,均在类药范围内,提示具有较好的口服生物利用度潜力。
常见问题
常见问题
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate的CAS号是多少?
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate的CAS号为1210881-22-3。
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate的分子式是什么?
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate的分子式为C18H20N2O5。
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate的分子量是多少?
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate的分子量为344.14 g/mol。
在哪里可以购买[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-dioxaindane-5-carboxylate?
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