Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate
概要:Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate(CAS 82698-90-6)是一种化学化合物,分子式为C10H11NO4,分子量为209.07 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 2-cyano-2-(4,4-dimethyl-2-oxooxolan-3-ylidene)acetate
又称:METHYL 2-CYANO-2-(4,4-DIMETHYL-2-OXO-OXOLAN-3-YLIDENE)ACETATE, methyl 2-cyano-2-(4,4-dimethyl-2-oxooxolan-3-ylidene)acetate, Methyl cyano(4,4-dimethyl-2-oxooxolan-3-ylidene)acetate, RefChem:354214
| 分子式 | C10H11NO4 |
|---|---|
| 分子量 | 209.07 g/mol |
| LogP | 1.1 |
| 拓扑极性表面积 | 76.4 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 2 |
| 精确质量 | 209.0688 |
| 重原子数 | 15 |
| 复杂度 | 397.0 |
化学标识符
| CAS 编号 | 82698-90-6 |
|---|---|
| SMILES | CC1(COC(=O)C1=C(C#N)C(=O)OC)C |
| InChIKey | NRHFXKVYEAALQV-UHFFFAOYSA-N |
产品概述
Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate(CAS 82698-90-6),分子式为C10H11NO4,分子量为209.07 g/mol。IUPAC名:methyl 2-cyano-2-(4,4-dimethyl-2-oxooxolan-3-ylidene)acetate。
Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate化学性质概览
属性洞察:Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate
Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate的XLogP值为1.1,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76.4 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,Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate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
Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate的CAS号是多少?
Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate的CAS号为82698-90-6。
Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate的分子式是什么?
Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate的分子式为C10H11NO4。
Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate的分子量是多少?
Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate的分子量为209.07 g/mol。
在哪里可以购买Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate?
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科弘生物是否提供Methyl 2-cyano-2-(4,4-dimethyl-2-oxo-oxolan-3-ylidene)acetate的定制合成服务?
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