Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate
概要:Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate(CAS 817572-57-9)是一种化学化合物,分子式为C14H18N2O3S,分子量为294.10 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 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxobutanoate
又称:CBKinase1_012026, CBKinase1_024426, BRD-K82279680-001-01-1, methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate, methyl 4-(3-(2,6-dimethylphenyl)thioureido)-4-oxobutanoate
| 分子式 | C14H18N2O3S |
|---|---|
| 分子量 | 294.10 g/mol |
| LogP | 2.06964 |
| 拓扑极性表面积 | 67.43 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 4 |
| 精确质量 | 294.10382 |
| 重原子数 | 20 |
| 复杂度 | 508.90033 |
化学标识符
| CAS 编号 | 817572-57-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=S)NC(=O)CCC(=O)OC |
产品概述
Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate(CAS 817572-57-9),分子式为C14H18N2O3S,分子量为294.10 g/mol。IUPAC名:methyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxobutanoate。
Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate化学性质概览
属性洞察:Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate
Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate的XLogP值为2.06964,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67.43 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,Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate有2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 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate的CAS号是多少?
Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate的CAS号为817572-57-9。
Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate的分子式是什么?
Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate的分子式为C14H18N2O3S。
Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate的分子量是多少?
Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate的分子量为294.10 g/mol。
在哪里可以购买Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate?
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科弘生物是否提供Methyl 4-({[(2,6-dimethylphenyl)amino]carbonothioyl}amino)-4-oxobutanoate的定制合成服务?
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