(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate
概要：(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate（CAS 1037584-51-2）是一种化学化合物，分子式为C17H18N6O4S，分子量为402.11 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。
[2,6-dimethoxy-4-[(E)-[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate
又称：(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate, [2,6-dimethoxy-4-[(E)-[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate, 2,6-dimethoxy-4-[(E)-{[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate, 4-{(1E)-2-[5-(3-methylpyrazol-5-yl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl }-2,6-dimethoxyphenyl acetate
| 分子式 | C17H18N6O4S |
|---|---|
| 分子量 | 402.11 g/mol |
| LogP | 2.46391 |
| 拓扑极性表面积 | 119.41 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 8 |
| 可旋转键数 | 6 |
| 精确质量 | 402.11102 |
| 重原子数 | 28 |
| 复杂度 | 1072.2555 |
化学标识符
| CAS 编号 | 1037584-51-2 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC(=C(C(=C3)OC)OC(=O)C)OC |
产品概述
(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate（CAS 1037584-51-2），分子式为C17H18N6O4S，分子量为402.11 g/mol。IUPAC名：[2,6-dimethoxy-4-[(E)-[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate。
(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate化学性质概览
属性洞察：(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate
(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate的XLogP值为2.46391，表明具有中等亲脂性，在水溶性和膜透过性之间取得平衡。 TPSA为119.41 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)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate有2个氢键供体和8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
(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate的CAS号是多少？
(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate的CAS号为1037584-51-2。
(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate的分子式是什么？
(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate的分子式为C17H18N6O4S。
(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate的分子量是多少？
(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate的分子量为402.11 g/mol。
在哪里可以购买(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate？
您可以直接向科弘生物询价(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate。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)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate的定制合成服务？
是的，科弘生物提供(E)-4-(((3-mercapto-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate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。