Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
概要:Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate(CAS 168279-54-7)是一种化学化合物,分子式为C12H14O3S2,分子量为270.04 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。
ethyl 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate
又称:ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate, Maybridge1_004428, Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-, ethyl ester, K-5207, ethyl 3-(methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
| 分子式 | C12H14O3S2 |
|---|---|
| 分子量 | 270.04 g/mol |
| LogP | 3.1657 |
| 拓扑极性表面积 | 43.37 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 3 |
| 精确质量 | 270.03842 |
| 重原子数 | 17 |
| 复杂度 | 462.56094 |
化学标识符
| CAS 编号 | 168279-54-7 |
|---|---|
| SMILES | CCOC(=O)C1=C2CCCC(=O)C2=C(S1)SC |
产品概述
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate(CAS 168279-54-7),分子式为C12H14O3S2,分子量为270.04 g/mol。IUPAC名:ethyl 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate。
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate化学性质概览
属性洞察:Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate的XLogP值为3.1657,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。 Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate的拓扑极性表面积(TPSA)为43.37 Ų,极性较低,可能具有较好的细胞膜透过性。 根据Lipinski五规则,Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-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
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate的CAS号是多少?
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate的CAS号为168279-54-7。
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate的分子式是什么?
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate的分子式为C12H14O3S2。
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate的分子量是多少?
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate的分子量为270.04 g/mol。
在哪里可以购买Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate?
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