Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate
概要:Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate(CAS 134889-04-6)是一种化学化合物,分子式为C14H13ClN2O4,分子量为308.06 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-chlorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate
又称:ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate, ethyl 4-[(4-chlorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate, 3890AD, Ethyl 4-((4-chlorophenyl)carbamoyl)-5-methylisoxazole-3-carboxylate, 5G-913
| 分子式 | C14H13ClN2O4 |
|---|---|
| 分子量 | 308.06 g/mol |
| LogP | 3.06542 |
| 拓扑极性表面积 | 81.43 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 4 |
| 精确质量 | 308.0564 |
| 重原子数 | 21 |
| 复杂度 | 664.1136 |
化学标识符
| CAS 编号 | 134889-04-6 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(=C1C(=O)NC2=CC=C(C=C2)Cl)C |
产品概述
Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate(CAS 134889-04-6),分子式为C14H13ClN2O4,分子量为308.06 g/mol。IUPAC名:ethyl 4-[(4-chlorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate。
Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate化学性质概览
属性洞察:Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate
Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate的XLogP值为3.06542,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81.43 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,Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate有1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-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate的CAS号是多少?
Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate的CAS号为134889-04-6。
Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate的分子式是什么?
Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate的分子式为C14H13ClN2O4。
Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate的分子量是多少?
Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate的分子量为308.06 g/mol。
在哪里可以购买Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate?
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