(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
概要:(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one(CAS 848928-18-7)是一种化学化合物,分子式为C27H33N5O2S,分子量为491.24 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)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
又称:(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-2-heptyl-5-imino-6-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (E)-2-heptyl-5-imino-6-((1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| 分子式 | C27H33N5O2S |
|---|---|
| 分子量 | 491.24 g/mol |
| LogP | 6.39083 |
| 拓扑极性表面积 | 83.04 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 9 |
| 精确质量 | 491.2355 |
| 重原子数 | 35 |
| 复杂度 | 1254.5032 |
化学标识符
| CAS 编号 | 848928-18-7 |
|---|---|
| SMILES | CCCCCCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=C(C=CC(=C4)C)OC)C)/C(=O)N=C2S1 |
产品概述
(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one(CAS 848928-18-7),分子式为C27H33N5O2S,分子量为491.24 g/mol。IUPAC名:(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one。
(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one化学性质概览
属性洞察:(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的XLogP值为6.39083,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83.04 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)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one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
(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的CAS号是多少?
(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的CAS号为848928-18-7。
(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子式是什么?
(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子式为C27H33N5O2S。
(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子量是多少?
(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子量为491.24 g/mol。
在哪里可以购买(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
您可以直接向科弘生物询价(6E)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[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)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[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)-2-heptyl-5-imino-6-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[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。