![(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/578/578751-87-8.png)
(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
概要：(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one（CAS 578751-87-8）是一种化学化合物，分子式为C29H29N5O2S2，分子量为543.18 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。
(6Z)-2-benzylsulfanyl-6-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
又称：(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-2-benzylsulfanyl-6-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-2-(benzylthio)-6-((1-(2-(4-(sec-butyl)phenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| 分子式 | C29H29N5O2S2 |
|---|---|
| 分子量 | 543.18 g/mol |
| LogP | 6.59067 |
| 拓扑极性表面积 | 83.04 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 6 |
| 可旋转键数 | 9 |
| 精确质量 | 543.1763 |
| 重原子数 | 38 |
| 复杂度 | 1410.2349 |
化学标识符
| CAS 编号 | 578751-87-8 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)OCCN2C=CC=C2/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)SCC5=CC=CC=C5 |
产品概述
(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one（CAS 578751-87-8），分子式为C29H29N5O2S2，分子量为543.18 g/mol。IUPAC名：(6Z)-2-benzylsulfanyl-6-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one。
(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one化学性质概览
属性洞察：(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的XLogP值为6.59067，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，(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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
(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的CAS号是多少？
(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的CAS号为578751-87-8。
(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子式是什么？
(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子式为C29H29N5O2S2。
(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子量是多少？
(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子量为543.18 g/mol。
在哪里可以购买(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one？
您可以直接向科弘生物询价(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[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(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[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(6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[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。