4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile
概要：4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile（CAS 114096-06-9）是一种化学化合物，分子式为C18H19NO3，分子量为297.14 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。
4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile
又称：4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile, 2,6,7-Trioxabicyclo(2.2.2)octane-3-carbonitrile, 4-(1,1-dimethylethyl)-1-(4-ethynylphenyl)-, (+-)-4-tert-Butyl-3-cyano-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane, 2,6,7-Trioxabicyclo(2.2.2)octane-3-carbonitrile, 4-(1,1-dimethylethyl)-1-(4-ethynylphenyl)-, (+-)-, 4-t-butyl-3-cyano-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2,2,2]octane
| 分子式 | C18H19NO3 |
|---|---|
| 分子量 | 297.14 g/mol |
| LogP | 2.8 |
| 拓扑极性表面积 | 51.5 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 3 |
| 精确质量 | 297.1365 |
| 重原子数 | 22 |
| 复杂度 | 528.0 |
化学标识符
| CAS 编号 | 114096-06-9 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2C#N)C3=CC=C(C=C3)C#C |
| InChIKey | KOTGUJCMDOQJFB-UHFFFAOYSA-N |
专利应用标签
基于SureChEMBL全球专利数据库中5个IPC专利分类衍生。
产品概述
4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile（CAS 114096-06-9），分子式为C18H19NO3，分子量为297.14 g/mol。IUPAC名：4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile。
4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile化学性质概览
属性洞察：4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile
4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile的XLogP值为2.8，表明具有中等亲脂性，在水溶性和膜透过性之间取得平衡。 4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile的拓扑极性表面积（TPSA）为51.5 Ų，极性较低，可能具有较好的细胞膜透过性。 根据Lipinski五规则，4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile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
4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile的CAS号是多少？
4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile的CAS号为114096-06-9。
4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile的分子式是什么？
4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile的分子式为C18H19NO3。
4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile的分子量是多少？
4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile的分子量为297.14 g/mol。
在哪里可以购买4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile？
您可以直接向科弘生物询价4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile的定制合成服务？
是的，科弘生物提供4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile及相关化合物的定制合成服务。请联系我们并告知您的具体需求，包括数量、纯度和交期。