![4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide structure](/static/products/5107/510766-49-1.webp)
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide
概要：4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide（CAS 510766-49-1）是一种化学化合物，分子式为C21H29FN4OS，分子量为404.20 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-[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethyl]-N-(4-fluorophenyl)piperazine-1-carbothioamide
又称：4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide, 4-(2-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)ethyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide, 4-[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethyl]-N-(4-fluorophenyl)piperazine-1-carbothioamide, 4-[2-(5,5-Dimethyl-3-oxo-cyclohex-1-enylamino)-ethyl]-piperazine-1-carbothioic acid (4-fluoro-phenyl)-amide
| 分子式 | C21H29FN4OS |
|---|---|
| 分子量 | 404.20 g/mol |
| LogP | 3.0027 |
| 拓扑极性表面积 | 47.61 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 5 |
| 精确质量 | 404.20462 |
| 重原子数 | 28 |
| 复杂度 | 739.2774 |
化学标识符
| CAS 编号 | 510766-49-1 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)F)C |
产品概述
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide（CAS 510766-49-1），分子式为C21H29FN4OS，分子量为404.20 g/mol。IUPAC名：4-[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethyl]-N-(4-fluorophenyl)piperazine-1-carbothioamide。
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide化学性质概览
属性洞察：4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide的XLogP值为3.0027，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。 4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide的拓扑极性表面积（TPSA）为47.61 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-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide有2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-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide的CAS号是多少？
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide的CAS号为510766-49-1。
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide的分子式是什么？
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide的分子式为C21H29FN4OS。
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide的分子量是多少？
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide的分子量为404.20 g/mol。
在哪里可以购买4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide？
您可以直接向科弘生物询价4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide。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-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide的定制合成服务？
是的，科弘生物提供4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide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。