4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
概要:4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol(CAS 1035066-95-5)是一种化学化合物,分子式为C13H10ClN7O2S,分子量为363.03 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-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
又称:4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol, (E)-4-((4-chloro-3-nitrobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-chloro-3-nitrophenyl)-1-azavinyl]-5-(3-methylpyrazol-5-yl)-1,2,4- triazole-3-thiol, 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-{[1-(4-Chloro-3-nitro-phenyl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
| 分子式 | C13H10ClN7O2S |
|---|---|
| 分子量 | 363.03 g/mol |
| LogP | 3.08301 |
| 拓扑极性表面积 | 117.79 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 6 |
| 可旋转键数 | 4 |
| 精确质量 | 363.03052 |
| 重原子数 | 24 |
| 复杂度 | 1003.91656 |
化学标识符
| CAS 编号 | 1035066-95-5 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
产品概述
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol(CAS 1035066-95-5),分子式为C13H10ClN7O2S,分子量为363.03 g/mol。IUPAC名:4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione。
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol化学性质概览
属性洞察:4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol的XLogP值为3.08301,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117.79 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,4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol有2个氢键供体和6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
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol的CAS号是多少?
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol的CAS号为1035066-95-5。
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol的分子式是什么?
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol的分子式为C13H10ClN7O2S。
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol的分子量是多少?
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol的分子量为363.03 g/mol。
在哪里可以购买4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol?
您可以直接向科弘生物询价4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol。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4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol的定制合成服务?
是的,科弘生物提供4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol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。