Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate
概要:Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate(CAS 444999-25-1)是一种化学化合物,分子式为C18H21NO3S,分子量为331.12 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。
methyl 2-[(3,4-dimethylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
又称:methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate, methyl 2-[(3,4-dimethylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate, METHYL 2-(3,4-DIMETHYLBENZAMIDO)-5-ISOPROPYLTHIOPHENE-3-CARBOXYLATE, METHYL 2-[(3,4-DIMETHYLBENZOYL)AMINO]-5-ISOPROPYL-3-THIOPHENECARBOXYLATE, methyl 2-{[(3,4-dimethylphenyl)carbonyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
| 分子式 | C18H21NO3S |
|---|---|
| 分子量 | 331.12 g/mol |
| LogP | 4.52724 |
| 拓扑极性表面积 | 55.4 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 4 |
| 精确质量 | 331.1242 |
| 重原子数 | 23 |
| 复杂度 | 746.72015 |
化学标识符
| CAS 编号 | 444999-25-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC)C |
产品概述
Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate(CAS 444999-25-1),分子式为C18H21NO3S,分子量为331.12 g/mol。IUPAC名:methyl 2-[(3,4-dimethylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate。
Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate化学性质概览
属性洞察:Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate
Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate的XLogP值为4.52724,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。 Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate的拓扑极性表面积(TPSA)为55.4 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate有1个氢键供体和4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 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate的CAS号是多少?
Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate的CAS号为444999-25-1。
Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate的分子式是什么?
Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate的分子式为C18H21NO3S。
Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate的分子量是多少?
Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate的分子量为331.12 g/mol。
在哪里可以购买Methyl 2-[(3,4-dimethylbenzoyl)amino]-5-isopropylthiophene-3-carboxylate?
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