ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate
概要:ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate(CAS 900912-94-9)是一种化学化合物,分子式为C21H23N5O3S2,分子量为457.12 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 5-benzyl-2-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate
又称:ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate, ethyl 5-benzyl-2-(3-(5-carbamoyl-1-ethyl-1H-pyrazol-4-yl)thioureido)thiophene-3-carboxylate, ethyl 5-benzyl-2-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate, ethyl 5-benzyl-2-{[(5-carbamoyl-1-ethyl-1H-pyrazol-4-yl)carbamothioyl]amino}thiophene-3-carboxylate
| 分子式 | C21H23N5O3S2 |
|---|---|
| 分子量 | 457.12 g/mol |
| LogP | 3.6398 |
| 拓扑极性表面积 | 111.27 Ų |
| 氢键供体数 | 3 |
| 氢键受体数 | 6 |
| 可旋转键数 | 8 |
| 精确质量 | 457.12424 |
| 重原子数 | 31 |
| 复杂度 | 1091.8878 |
化学标识符
| CAS 编号 | 900912-94-9 |
|---|---|
| SMILES | CCN1C(=C(C=N1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C(=O)N |
产品概述
ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate(CAS 900912-94-9),分子式为C21H23N5O3S2,分子量为457.12 g/mol。IUPAC名:ethyl 5-benzyl-2-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate。
ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate化学性质概览
属性洞察:ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate
ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate的XLogP值为3.6398,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111.27 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-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate有3个氢键供体和6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-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate的CAS号是多少?
ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate的CAS号为900912-94-9。
ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate的分子式是什么?
ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate的分子式为C21H23N5O3S2。
ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate的分子量是多少?
ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate的分子量为457.12 g/mol。
在哪里可以购买ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate?
您可以直接向科弘生物询价ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate的定制合成服务?
是的,科弘生物提供ethyl 2-({[(5-carbamoyl-1-ethylpyrazol-4-yl)amino]thioxomethyl}amino)-5-benzyl thiophene-3-carboxylate及相关化合物的定制合成服务。请联系我们并告知您的具体需求,包括数量、纯度和交期。