2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate
概要:2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate(CAS 379253-46-0)是一种化学化合物,分子式为C11H8O4S,分子量为236.01 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-methyl-4-oxopyran-3-yl) thiophene-2-carboxylate
又称:2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate, AB01330261-02, 2-methyl-4-oxopyran-3-yl thiophene-2-carboxylate, AF-399/40826402, (2-methyl-4-oxopyran-3-yl) thiophene-2-carboxylate
| 分子式 | C11H8O4S |
|---|---|
| 分子量 | 236.01 g/mol |
| LogP | 2.22892 |
| 拓扑极性表面积 | 56.51 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 2 |
| 精确质量 | 236.01433 |
| 重原子数 | 16 |
| 复杂度 | 553.6136 |
化学标识符
| CAS 编号 | 379253-46-0 |
|---|---|
| SMILES | CC1=C(C(=O)C=CO1)OC(=O)C2=CC=CS2 |
产品概述
2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate(CAS 379253-46-0),分子式为C11H8O4S,分子量为236.01 g/mol。IUPAC名:(2-methyl-4-oxopyran-3-yl) thiophene-2-carboxylate。
2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate化学性质概览
属性洞察:2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate
2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate的XLogP值为2.22892,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate的拓扑极性表面积(TPSA)为56.51 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate有0个氢键供体和5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
2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate的CAS号是多少?
2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate的CAS号为379253-46-0。
2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate的分子式是什么?
2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate的分子式为C11H8O4S。
2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate的分子量是多少?
2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate的分子量为236.01 g/mol。
在哪里可以购买2-methyl-4-oxo-4H-pyran-3-yl thiophene-2-carboxylate?
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