2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile
概要:2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile(CAS 311812-78-9)是一种化学化合物,分子式为C12H12N4OS,分子量为260.07 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。
4,6-dimethyl-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile
又称:TimTec1_000858, BRD-K22536746-001-01-9, 2-[(5-hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile, 2-(((5-hydroxy-1H-pyrazol-3-yl)methyl)thio)-4,6-dimethylnicotinonitrile, 2-{[(5-hydroxy-1H-pyrazol-3-yl)methyl]sulfanyl}-4,6-dimethylnicotinonitrile
| 分子式 | C12H12N4OS |
|---|---|
| 分子量 | 260.07 g/mol |
| LogP | 1.5 |
| 拓扑极性表面积 | 103.0 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 5 |
| 可旋转键数 | 3 |
| 精确质量 | 260.07318 |
| 重原子数 | 18 |
| 复杂度 | 414.0 |
化学标识符
| CAS 编号 | 311812-78-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=CC(=O)NN2)C |
| InChIKey | LNOFZOWGWGOAIG-UHFFFAOYSA-N |
产品概述
2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile(CAS 311812-78-9),分子式为C12H12N4OS,分子量为260.07 g/mol。IUPAC名:4,6-dimethyl-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile。
2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile化学性质概览
属性洞察:2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile
2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile的XLogP值为1.5,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103.0 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,2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile有2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
2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile的CAS号是多少?
2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile的CAS号为311812-78-9。
2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile的分子式是什么?
2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile的分子式为C12H12N4OS。
2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile的分子量是多少?
2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile的分子量为260.07 g/mol。
在哪里可以购买2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile?
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科弘生物是否提供2-[(5-Hydroxypyrazol-3-yl)methylthio]-4,6-dimethylpyridine-3-carbonitrile的定制合成服务?
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