[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate
概要:[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate(CAS 1004201-19-7)是一种化学化合物,分子式为C21H23ClN4O3,分子量为414.15 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] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
又称:[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate|EN300-26681386
| 分子式 | C21H23ClN4O3 |
|---|---|
| 分子量 | 414.15 g/mol |
| LogP | 3.6758 |
| 拓扑极性表面积 | 88.22 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 5 |
| 精确质量 | 414.14587 |
| 重原子数 | 29 |
| 复杂度 | 942.82605 |
化学标识符
| CAS 编号 | 1004201-19-7 |
|---|---|
| SMILES | CC1=NN(C(=C1C(=O)OCC(=O)N(C)C2(CCCCC2)C#N)Cl)C3=CC=CC=C3 |
产品概述
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate(CAS 1004201-19-7),分子式为C21H23ClN4O3,分子量为414.15 g/mol。IUPAC名:[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate。
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate化学性质概览
属性洞察:[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate的XLogP值为3.6758,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88.22 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 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate有0个氢键供体和5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 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate的CAS号是多少?
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate的CAS号为1004201-19-7。
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate的分子式是什么?
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate的分子式为C21H23ClN4O3。
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate的分子量是多少?
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate的分子量为414.15 g/mol。
在哪里可以购买[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate?
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