(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
概要:(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one(CAS 849920-78-1)是一种化学化合物,分子式为C27H30N4O3S,分子量为490.20 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。
(6E)-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
又称:(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{4-[2-(2,4-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| 分子式 | C27H30N4O3S |
|---|---|
| 分子量 | 490.20 g/mol |
| LogP | 5.81661 |
| 拓扑极性表面积 | 87.34 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 6 |
| 可旋转键数 | 9 |
| 精确质量 | 490.20386 |
| 重原子数 | 35 |
| 复杂度 | 1213.4323 |
化学标识符
| CAS 编号 | 849920-78-1 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C\C3=CC=C(C=C3)OCCOC4=C(C=C(C=C4)C)C)/C(=O)N=C2S1 |
产品概述
(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one(CAS 849920-78-1),分子式为C27H30N4O3S,分子量为490.20 g/mol。IUPAC名:(6E)-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one。
(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one化学性质概览
属性洞察:(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的XLogP值为5.81661,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87.34 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-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one有1个氢键供体和6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-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的CAS号是多少?
(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的CAS号为849920-78-1。
(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的分子式是什么?
(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的分子式为C27H30N4O3S。
(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的分子量是多少?
(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one的分子量为490.20 g/mol。
在哪里可以购买(E)-6-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-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-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-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-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-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-(4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(pentan-3-yl)-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。