Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
概要:Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate(CAS 951624-95-6)是一种化学化合物,分子式为C13H16N2O3S,分子量为280.09 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 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
又称:ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate, ethyl 2-(2-cyanoacetamido)-4-ethyl-5-methylthiophene-3-carboxylate, ethyl 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate, Ethyl 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate, 1-[4-(Ethylsulfonyl)-2-nitrophenyl]piperidine-4-carboxylic acid
| 分子式 | C13H16N2O3S |
|---|---|
| 分子量 | 280.09 g/mol |
| LogP | 2.6478 |
| 拓扑极性表面积 | 79.19 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 5 |
| 精确质量 | 280.08817 |
| 重原子数 | 19 |
| 复杂度 | 528.726 |
化学标识符
| CAS 编号 | 951624-95-6 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OCC)NC(=O)CC#N)C |
产品概述
Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate(CAS 951624-95-6),分子式为C13H16N2O3S,分子量为280.09 g/mol。IUPAC名:ethyl 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate。
Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate化学性质概览
属性洞察:Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate的XLogP值为2.6478,表明具有中等亲脂性,在水溶性和膜透过性之间取得平衡。 TPSA为79.19 Ų,处于中等极性范围,在透过性和溶解性之间取得平衡。 根据Lipinski五规则,Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate有1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 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate的CAS号是多少?
Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate的CAS号为951624-95-6。
Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate的分子式是什么?
Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate的分子式为C13H16N2O3S。
Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate的分子量是多少?
Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate的分子量为280.09 g/mol。
在哪里可以购买Ethyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
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