1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile
概要：1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile（CAS 121317-56-4）是一种化学化合物，分子式为C16H23NO3，分子量为277.17 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-hex-5-ynyl-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile
又称：1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile, 3,5,8-Trioxabicyclo(2.2.2)octane-7-carbonitrile, 1-tert-butyl-4-hex-5-ynyl-, 1-tert-butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile, 4-hex-5-ynyl-1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octane-7-carbonitrile, 4-t-Butyl-1-(hex-5-ynyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile
| 分子式 | C16H23NO3 |
|---|---|
| 分子量 | 277.17 g/mol |
| LogP | 2.9 |
| 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 | 5 |
| 精确质量 | 277.1678 |
| 重原子数 | 20 |
| 复杂度 | 451.0 |
化学标识符
| CAS 编号 | 121317-56-4 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2C#N)CCCCC#C |
| InChIKey | XDFHDMHYRIRLEZ-UHFFFAOYSA-N |
专利应用标签
基于SureChEMBL全球专利数据库中3个IPC专利分类衍生。
产品概述
1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile（CAS 121317-56-4），分子式为C16H23NO3，分子量为277.17 g/mol。IUPAC名：4-tert-butyl-1-hex-5-ynyl-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile。
1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile化学性质概览
属性洞察：1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile
1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile的XLogP值为2.9，表明具有中等亲脂性，在水溶性和膜透过性之间取得平衡。 1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-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，1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-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
1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile的CAS号是多少？
1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile的CAS号为121317-56-4。
1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile的分子式是什么？
1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile的分子式为C16H23NO3。
1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile的分子量是多少？
1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile的分子量为277.17 g/mol。
在哪里可以购买1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile？
您可以直接向科弘生物询价1-tert-Butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo(2.2.2)octane-7-carbonitrile。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
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