Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate
概要:Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate(CAS 494218-78-9)是一种化学化合物,分子式为C16H17ClN4O3S,分子量为380.07 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-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)carbamothioylamino]benzoate
又称:ethyl 4-({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)benzoate, ethyl 4-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate, ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate, ethyl 4-(3-(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)thioureido)benzoate, Ethyl 4-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)thiocarbamoylamino]benzoate
| 分子式 | C16H17ClN4O3S |
|---|---|
| 分子量 | 380.07 g/mol |
| LogP | 2.68542 |
| 拓扑极性表面积 | 85.25 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 5 |
| 可旋转键数 | 4 |
| 精确质量 | 380.07098 |
| 重原子数 | 25 |
| 复杂度 | 817.5325 |
化学标识符
| CAS 编号 | 494218-78-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C(=NN2C)C)Cl |
产品概述
Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate(CAS 494218-78-9),分子式为C16H17ClN4O3S,分子量为380.07 g/mol。IUPAC名:ethyl 4-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)carbamothioylamino]benzoate。
Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate化学性质概览
属性洞察:Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate
Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate的XLogP值为2.68542,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85.25 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-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate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
Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate的CAS号是多少?
Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate的CAS号为494218-78-9。
Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate的分子式是什么?
Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate的分子式为C16H17ClN4O3S。
Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate的分子量是多少?
Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate的分子量为380.07 g/mol。
在哪里可以购买Ethyl 4-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]benzoate?
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