(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
概要:(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one(CAS 530137-31-6)是一种化学化合物,分子式为C29H23N5OS2,分子量为521.13 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-5-imino-6-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
又称:(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-2-benzylsulfanyl-5-imino-6-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-2-(benzylthio)-5-imino-6-((1-(4-methylbenzyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| 分子式 | C29H23N5OS2 |
|---|---|
| 分子量 | 521.13 g/mol |
| LogP | 6.50809 |
| 拓扑极性表面积 | 73.81 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 5 |
| 精确质量 | 521.1344 |
| 重原子数 | 37 |
| 复杂度 | 1617.3263 |
化学标识符
| CAS 编号 | 530137-31-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C\4/C(=N)N5C(=NC4=O)SC(=N5)SCC6=CC=CC=C6 |
产品概述
(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one(CAS 530137-31-6),分子式为C29H23N5OS2,分子量为521.13 g/mol。IUPAC名:(6Z)-2-benzylsulfanyl-5-imino-6-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one。
(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-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)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的XLogP值为6.50809,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73.81 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)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[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
(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的CAS号是多少?
(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的CAS号为530137-31-6。
(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子式是什么?
(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子式为C29H23N5OS2。
(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子量是多少?
(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one的分子量为521.13 g/mol。
在哪里可以购买(6Z)-2-(benzylsulfanyl)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-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)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-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)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-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)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-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。