ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate
概要:ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate(CAS 1005689-66-6)是一种化学化合物,分子式为C14H14BrN3O3,分子量为351.02 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 3-[(4-bromophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
又称:ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate, ethyl 5-[(4-bromophenyl)carbamoyl]-2-methylpyrazole-3-carboxylate, Ethyl 5-[(4-bromophenyl)carbamoyl]-2-methyl-pyrazole-3-carboxylate, ethyl 3-((4-bromophenyl)carbamoyl)-1-methyl-1H-pyrazole-5-carboxylate, ethyl 3-[(4-bromophenyl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate
| 分子式 | C14H14BrN3O3 |
|---|---|
| 分子量 | 351.02 g/mol |
| LogP | 2.6116 |
| 拓扑极性表面积 | 73.22 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 4 |
| 精确质量 | 351.02185 |
| 重原子数 | 21 |
| 复杂度 | 664.6038 |
化学标识符
| CAS 编号 | 1005689-66-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=C(C=C2)Br |
产品概述
ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate(CAS 1005689-66-6),分子式为C14H14BrN3O3,分子量为351.02 g/mol。IUPAC名:ethyl 3-[(4-bromophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate。
ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate化学性质概览
属性洞察:ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate
ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate的XLogP值为2.6116,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73.22 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 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate有1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 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate的CAS号是多少?
ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate的CAS号为1005689-66-6。
ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate的分子式是什么?
ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate的分子式为C14H14BrN3O3。
ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate的分子量是多少?
ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate的分子量为351.02 g/mol。
在哪里可以购买ethyl 3-[(4-bromoanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate?
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