Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate
概要:Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate(CAS 590354-03-3)是一种化学化合物,分子式为C16H18N2O3S2,分子量为350.08 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 5-ethyl-2-[(3-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate
又称:methyl 5-ethyl-2-(3-(3-methoxyphenyl)thioureido)thiophene-3-carboxylate, methyl 5-ethyl-2-({[(3-methoxyphenyl)amino]thioxomethyl}amino)thiophene-3-carb oxylate, methyl 5-ethyl-2-[(3-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate, Methyl 5-ethyl-2-[(3-methoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylate, methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate
| 分子式 | C16H18N2O3S2 |
|---|---|
| 分子量 | 350.08 g/mol |
| LogP | 3.9146 |
| 拓扑极性表面积 | 59.59 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 5 |
| 可旋转键数 | 5 |
| 精确质量 | 350.0759 |
| 重原子数 | 23 |
| 复杂度 | 713.10095 |
化学标识符
| CAS 编号 | 590354-03-3 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=S)NC2=CC(=CC=C2)OC)C(=O)OC |
产品概述
Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate(CAS 590354-03-3),分子式为C16H18N2O3S2,分子量为350.08 g/mol。IUPAC名:methyl 5-ethyl-2-[(3-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate。
Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate化学性质概览
属性洞察:Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate
Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate的XLogP值为3.9146,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 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate的拓扑极性表面积(TPSA)为59.59 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 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate有2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
Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate的CAS号是多少?
Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate的CAS号为590354-03-3。
Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate的分子式是什么?
Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate的分子式为C16H18N2O3S2。
Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate的分子量是多少?
Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate的分子量为350.08 g/mol。
在哪里可以购买Methyl 5-ethyl-2-{[(3-methoxyphenyl)carbamothioyl]amino}thiophene-3-carboxylate?
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