![(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/848/848998-68-5.png)
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
概要：(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one（CAS 848998-68-5）是一种化学化合物，分子式为C21H21N5O3S2，分子量为455.11 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。
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
又称：(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{[1-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (E)-6-((1-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-(methylthio)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| 分子式 | C21H21N5O3S2 |
|---|---|
| 分子量 | 455.11 g/mol |
| LogP | 4.05101 |
| 拓扑极性表面积 | 92.27 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 7 |
| 可旋转键数 | 4 |
| 精确质量 | 455.10858 |
| 重原子数 | 31 |
| 复杂度 | 1195.8624 |
化学标识符
| CAS 编号 | 848998-68-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=C(C=C2)OC)OC)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)SC |
产品概述
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one（CAS 848998-68-5），分子式为C21H21N5O3S2，分子量为455.11 g/mol。IUPAC名：(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one。
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one化学性质概览
属性洞察：(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的XLogP值为4.05101，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92.27 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，(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one有1个氢键供体和7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
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的CAS号是多少？
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的CAS号为848998-68-5。
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子式是什么？
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子式为C21H21N5O3S2。
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子量是多少？
(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子量为455.11 g/mol。
在哪里可以购买(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one？
您可以直接向科弘生物询价(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one。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(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的定制合成服务？
是的，科弘生物提供(6E)-6-[[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one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。