methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate
概要:methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate(CAS 444999-04-6)是一种化学化合物,分子式为C21H17N3O7S,分子量为455.08 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。
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate
又称:methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate, methyl 2-({3,5-dinitrobenzoyl}amino)-4-(3,4-dimethylphenyl)-3-thiophenecarboxylate, methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrophenyl)carbonylamino]thiophene-3- carboxylate, methyl 4-(3,4-dimethylphenyl)-2-{[(3,5-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| 分子式 | C21H17N3O7S |
|---|---|
| 分子量 | 455.08 g/mol |
| LogP | 4.88724 |
| 拓扑极性表面积 | 141.68 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 8 |
| 可旋转键数 | 6 |
| 精确质量 | 455.07874 |
| 重原子数 | 32 |
| 复杂度 | 1234.0244 |
化学标识符
| CAS 编号 | 444999-04-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C |
产品概述
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate(CAS 444999-04-6),分子式为C21H17N3O7S,分子量为455.08 g/mol。IUPAC名:methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate。
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate化学性质概览
属性洞察:methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate的XLogP值为4.88724,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141.68 Ų,极性较高,提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则,methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate有1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
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate的CAS号是多少?
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate的CAS号为444999-04-6。
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate的分子式是什么?
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate的分子式为C21H17N3O7S。
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate的分子量是多少?
methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate的分子量为455.08 g/mol。
在哪里可以购买methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate?
您可以直接向科弘生物询价methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate。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methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate的定制合成服务?
是的,科弘生物提供methyl 4-(3,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate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。