ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate
概要:ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate(CAS 1190848-27-1)是一种化学化合物,分子式为C12H17F3O4S,分子量为314.08 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。
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate
又称:ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate, ethyl 1-hydroxy-2,2-dimethyl-5-(trifluoromethyl)-4-oxa-6-thiabicyclo[3.2.1]octane-7-carboxylate
| 分子式 | C12H17F3O4S |
|---|---|
| 分子量 | 314.08 g/mol |
| LogP | 2.1011 |
| 拓扑极性表面积 | 55.76 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 2 |
| 精确质量 | 314.07996 |
| 重原子数 | 20 |
| 复杂度 | 425.4157 |
化学标识符
| CAS 编号 | 1190848-27-1 |
|---|---|
| SMILES | CCOC(=O)C1C2(CC(S1)(OCC2(C)C)C(F)(F)F)O |
产品概述
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate(CAS 1190848-27-1),分子式为C12H17F3O4S,分子量为314.08 g/mol。IUPAC名:ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate。
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate化学性质概览
属性洞察:ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate的XLogP值为2.1011,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate的拓扑极性表面积(TPSA)为55.76 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate有1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
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate的CAS号是多少?
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate的CAS号为1190848-27-1。
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate的分子式是什么?
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate的分子式为C12H17F3O4S。
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate的分子量是多少?
ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate的分子量为314.08 g/mol。
在哪里可以购买ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate?
您可以直接向科弘生物询价ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate。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ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate的定制合成服务?
是的,科弘生物提供ethyl 5-hydroxy-4,4-dimethyl-1-(trifluoromethyl)-2-oxa-7-thiabicyclo[3.2.1]octane-6-carboxylate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。