Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate
概要:Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate(CAS 380344-22-9)是一种化学化合物,分子式为C21H22N4O3S,分子量为410.14 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 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate
又称:ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate, F0331-0105, ethyl 4-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbonothioyl}amino)benzoate, ethyl 4-(3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thioureido)benzoate, ethyl 4-({[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))amino]thioxomethyl}a mino)benzoate
| 分子式 | C21H22N4O3S |
|---|---|
| 分子量 | 410.14 g/mol |
| LogP | 3.47002 |
| 拓扑极性表面积 | 77.29 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 5 |
| 精确质量 | 410.14127 |
| 重原子数 | 29 |
| 复杂度 | 1085.6091 |
化学标识符
| CAS 编号 | 380344-22-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C |
产品概述
Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate(CAS 380344-22-9),分子式为C21H22N4O3S,分子量为410.14 g/mol。IUPAC名:ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate。
Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate化学性质概览
属性洞察:Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate
Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate的XLogP值为3.47002,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。 TPSA为77.29 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 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate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
Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate的CAS号是多少?
Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate的CAS号为380344-22-9。
Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate的分子式是什么?
Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate的分子式为C21H22N4O3S。
Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate的分子量是多少?
Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate的分子量为410.14 g/mol。
在哪里可以购买Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate?
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科弘生物是否提供Ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]benzoate的定制合成服务?
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