methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
概要:methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate(CAS 1164476-15-6)是一种化学化合物,分子式为C13H15ClN4S,分子量为294.07 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。
methyl 4-(4-chlorophenyl)-N-cyanopiperazine-1-carboximidothioate
又称:methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate, methyl 4-(4-chlorophenyl)-N-cyanopiperazine-1-carboximidothioate, (Z)-{[4-(4-chlorophenyl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine, {[4-(4-chlorophenyl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine
| 分子式 | C13H15ClN4S |
|---|---|
| 分子量 | 294.07 g/mol |
| LogP | 2.66208 |
| 拓扑极性表面积 | 42.63 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 1 |
| 精确质量 | 294.0706 |
| 重原子数 | 19 |
| 复杂度 | 486.35983 |
化学标识符
| CAS 编号 | 1164476-15-6 |
|---|---|
| SMILES | CSC(=NC#N)N1CCN(CC1)C2=CC=C(C=C2)Cl |
产品概述
methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate(CAS 1164476-15-6),分子式为C13H15ClN4S,分子量为294.07 g/mol。IUPAC名:methyl 4-(4-chlorophenyl)-N-cyanopiperazine-1-carboximidothioate。
methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate化学性质概览
属性洞察:methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate的XLogP值为2.66208,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate的拓扑极性表面积(TPSA)为42.63 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate有0个氢键供体和4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
methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate的CAS号是多少?
methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate的CAS号为1164476-15-6。
methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate的分子式是什么?
methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate的分子式为C13H15ClN4S。
methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate的分子量是多少?
methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate的分子量为294.07 g/mol。
在哪里可以购买methyl 4-(4-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
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