1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile
概要:1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile(CAS 331962-04-0)是一种化学化合物,分子式为C17H19NO2,分子量为269.14 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。
1-methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile
又称:1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile, BAS 00690969, AE-848/31945009, BRD-A09847520-001-01-1, 4-methyl-2-oxo-4-phenyl-3-oxaspiro[4.5]decanecarbonitrile
| 分子式 | C17H19NO2 |
|---|---|
| 分子量 | 269.14 g/mol |
| LogP | 3.8 |
| 拓扑极性表面积 | 50.1 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 1 |
| 精确质量 | 269.14157 |
| 重原子数 | 20 |
| 复杂度 | 437.0 |
化学标识符
| CAS 编号 | 331962-04-0 |
|---|---|
| SMILES | CC1(C2(CCCCC2)C(C(=O)O1)C#N)C3=CC=CC=C3 |
| InChIKey | IBWRSXPLRFQYDT-UHFFFAOYSA-N |
产品概述
1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile(CAS 331962-04-0),分子式为C17H19NO2,分子量为269.14 g/mol。IUPAC名:1-methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile。
1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile化学性质概览
属性洞察:1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile
1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile的XLogP值为3.8,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。 1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile的拓扑极性表面积(TPSA)为50.1 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile有0个氢键供体和3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-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile的CAS号是多少?
1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile的CAS号为331962-04-0。
1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile的分子式是什么?
1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile的分子式为C17H19NO2。
1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile的分子量是多少?
1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile的分子量为269.14 g/mol。
在哪里可以购买1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile?
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科弘生物是否提供1-Methyl-3-oxo-1-phenyl-2-oxaspiro[4.5]decane-4-carbonitrile的定制合成服务?
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