N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
概要:N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide(CAS 840512-02-9)是一种化学化合物,分子式为C22H22BrN3O2S2,分子量为503.03 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。
N-(4-bromo-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
又称:N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-bromo-2-methylphenyl)acetamide, N-(4-bromo-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(4-bromo-2-methylphenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide, N-(4-bromo-2-methylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| 分子式 | C22H22BrN3O2S2 |
|---|---|
| 分子量 | 503.03 g/mol |
| LogP | 5.32452 |
| 拓扑极性表面积 | 63.99 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 6 |
| 精确质量 | 503.0337 |
| 重原子数 | 30 |
| 复杂度 | 1199.2913 |
化学标识符
| CAS 编号 | 840512-02-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C |
产品概述
N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide(CAS 840512-02-9),分子式为C22H22BrN3O2S2,分子量为503.03 g/mol。IUPAC名:N-(4-bromo-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide。
N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide化学性质概览
属性洞察:N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide的XLogP值为5.32452,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。 TPSA为63.99 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,N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide有1个氢键供体和5个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide的CAS号是多少?
N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide的CAS号为840512-02-9。
N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide的分子式是什么?
N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide的分子式为C22H22BrN3O2S2。
N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide的分子量是多少?
N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide的分子量为503.03 g/mol。
在哪里可以购买N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
您可以直接向科弘生物询价N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide。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N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide的定制合成服务?
是的,科弘生物提供N-(4-bromo-2-methylphenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide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。