3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile
概要:3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile(CAS 500269-64-7)是一种化学化合物,分子式为C18H22N2OS,分子量为314.15 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。
3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropanenitrile
又称:4a95, 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile, 3-[(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanyl]propanenitrile, 3-((3-butyl-6-methoxy-2-methylquinolin-4-yl)thio)propanenitrile, 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropanenitrile
| 分子式 | C18H22N2OS |
|---|---|
| 分子量 | 314.15 g/mol |
| LogP | 4.9002 |
| 拓扑极性表面积 | 45.91 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 7 |
| 精确质量 | 314.1453 |
| 重原子数 | 22 |
| 复杂度 | 691.5271 |
化学标识符
| CAS Number | 500269-64-7 |
|---|---|
| SMILES | CCCCC1=C(N=C2C=CC(=CC2=C1SCCC#N)OC)C |
产品概述
3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile(CAS 500269-64-7),分子式为C18H22N2OS,分子量为314.15 g/mol。IUPAC名:3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropanenitrile。
3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile化学性质概览
属性洞察:3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile
3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile的XLogP值为4.9002,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。 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile的拓扑极性表面积(TPSA)为45.91 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile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
Frequently Asked Questions
3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile的CAS号是多少?
3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile的CAS号为500269-64-7。
3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile的分子式是什么?
3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile的分子式为C18H22N2OS。
3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile的分子量是多少?
3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile的分子量为314.15 g/mol。
在哪里可以购买3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile?
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