Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate
概要:Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate(CAS 861210-43-7)是一种化学化合物,分子式为C19H16F3N5O4,分子量为435.12 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。
diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate
又称:Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate, 2W-0809, diethyl 1-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazole-4,5-dicarboxylate, 4,5-diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate, 4,5-diethyl1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
| 分子式 | C19H16F3N5O4 |
|---|---|
| 分子量 | 435.12 g/mol |
| LogP | 3.0965 |
| 拓扑极性表面积 | 109.09 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 8 |
| 可旋转键数 | 6 |
| 精确质量 | 435.11545 |
| 重原子数 | 31 |
| 复杂度 | 1099.6678 |
化学标识符
| CAS 编号 | 861210-43-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)C(=O)OCC |
产品概述
Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate(CAS 861210-43-7),分子式为C19H16F3N5O4,分子量为435.12 g/mol。IUPAC名:diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate。
Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate化学性质概览
属性洞察:Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate
Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate的XLogP值为3.0965,表明该化合物具有亲脂性(脂溶性好),可能影响其吸收、分布和配方策略。 TPSA为109.09 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,Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate有0个氢键供体和8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
Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate的CAS号是多少?
Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate的CAS号为861210-43-7。
Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate的分子式是什么?
Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate的分子式为C19H16F3N5O4。
Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate的分子量是多少?
Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate的分子量为435.12 g/mol。
在哪里可以购买Diethyl 1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]triazole-4,5-dicarboxylate?
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