1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione structure

1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione

概要:1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione(CAS 845806-47-5)是一种化学化合物,分子式为C25H28F3N3O3,分子量为475.21 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。

1-butyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione

又称:1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione, 1-butyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione, 1-butyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-indole-2,4(3H,5H)-dione

CAS: 845806-47-5
分子式 C25H28F3N3O3
分子量 475.21 g/mol
LogP 4.55962
拓扑极性表面积 75.17 Ų
氢键供体数 1
氢键受体数 3
可旋转键数 5
精确质量 475.20828
重原子数 34
复杂度 1237.5776

化学标识符

CAS 编号 845806-47-5
SMILES CCCCN1C2=C(C(=O)CC(C2)(C)C)C(C1=O)(C3=C(NN(C3=O)C4=CC=CC=C4)C)C(F)(F)F

产品概述

1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione(CAS 845806-47-5),分子式为C25H28F3N3O3,分子量为475.21 g/mol。IUPAC名:1-butyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione

🧪
安全数据表(MSDS / SDS) 在PubChem上查看实验室化学品安全摘要(LCSS)——包含GHS分类、危险说明、急救措施和操作注意事项。
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1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione化学性质概览

XLogP(分配系数)
4.55962
TPSA(拓扑极性表面积)
75.17
氢键供体数
1
氢键受体数
3
可旋转键数
5
重原子数
34
复杂度
1237.5776
精确质量
475.20828
单同位素质量
475.20828
数据来源: 化学性质数据引用自 PubChem,由美国国家医学图书馆(NLM)下属的国家生物技术信息中心(NCBI)维护的全球最大开放化学数据库。

属性洞察:1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione

1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione的XLogP值为4.55962,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75.17 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,1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione有1个氢键供体和3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

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常见问题

1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione的CAS号是多少?

1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione的CAS号为845806-47-5。

1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione的分子式是什么?

1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione的分子式为C25H28F3N3O3。

1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione的分子量是多少?

1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione的分子量为475.21 g/mol。

在哪里可以购买1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione?

您可以直接向科弘生物询价1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione。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1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione的定制合成服务?

是的,科弘生物提供1-butyl-3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione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。

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