(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate
概要:(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate(CAS 850748-12-8)是一种化学化合物,分子式为C24H24N4O4S2,分子量为496.12 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。
[4-[(Z)-(5-imino-7-oxo-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
又称:(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate, [4-[(Z)-(5-imino-7-oxo-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
| 分子式 | C24H24N4O4S2 |
|---|---|
| 分子量 | 496.12 g/mol |
| LogP | 4.81809 |
| 拓扑极性表面积 | 112.25 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 7 |
| 可旋转键数 | 7 |
| 精确质量 | 496.1239 |
| 重原子数 | 34 |
| 复杂度 | 1324.0328 |
化学标识符
| CAS 编号 | 850748-12-8 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)/C(=O)N=C2S1 |
产品概述
(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate(CAS 850748-12-8),分子式为C24H24N4O4S2,分子量为496.12 g/mol。IUPAC名:[4-[(Z)-(5-imino-7-oxo-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 4-methylbenzenesulfonate。
(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate化学性质概览
属性洞察:(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate
(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate的XLogP值为4.81809,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112.25 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,(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate有1个氢键供体和7个氢键受体,均在类药范围内,提示具有较好的口服生物利用度潜力。
常见问题
常见问题
(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate的CAS号是多少?
(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate的CAS号为850748-12-8。
(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate的分子式是什么?
(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate的分子式为C24H24N4O4S2。
(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate的分子量是多少?
(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate的分子量为496.12 g/mol。
在哪里可以购买(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate?
您可以直接向科弘生物询价(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate。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(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate的定制合成服务?
是的,科弘生物提供(Z)-4-((5-imino-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 4-methylbenzenesulfonate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。