(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
概要:(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one(CAS 847340-22-1)是一种化学化合物,分子式为C26H22FN5O2S,分子量为487.15 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-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
又称:(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[(3-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| 分子式 | C26H22FN5O2S |
|---|---|
| 分子量 | 487.15 g/mol |
| LogP | 5.23983 |
| 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 | 5 |
| 精确质量 | 487.14783 |
| 重原子数 | 35 |
| 复杂度 | 1452.8702 |
化学标识符
| CAS 编号 | 847340-22-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=NN3C(=N)/C(=C\C4=C(N(C(=C4)C)C5=CC=C(C=C5)F)C)/C(=O)N=C3S2 |
产品概述
(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one(CAS 847340-22-1),分子式为C26H22FN5O2S,分子量为487.15 g/mol。IUPAC名:(6E)-6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one。
(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one化学性质概览
属性洞察:(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的XLogP值为5.23983,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,(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-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
(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的CAS号是多少?
(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的CAS号为847340-22-1。
(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的分子式是什么?
(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的分子式为C26H22FN5O2S。
(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的分子量是多少?
(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的分子量为487.15 g/mol。
在哪里可以购买(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
您可以直接向科弘生物询价(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-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(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的定制合成服务?
是的,科弘生物提供(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-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。