3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate
概要:3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate(CAS 85388-78-9)是一种化学化合物,分子式为C17H26Cl2N2O4,分子量为392.13 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 2,4-bis[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate;dihydrochloride
又称:3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate, 2,4-Bis(dimethylaminomethyl)-3-ethoxycarbonyl-5-hydroxybenzofuran dihydrochloride hydrate, ethyl 2,4-bis(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-carboxylate dihydrochloride, Ethyl 2,4-bis[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate--hydrogen chloride (1/2), RefChem:276876
| 分子式 | C17H26Cl2N2O4 |
|---|---|
| 分子量 | 392.13 g/mol |
| LogP | 3.2819 |
| 拓扑极性表面积 | 66.15 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 6 |
| 可旋转键数 | 6 |
| 精确质量 | 392.12695 |
| 重原子数 | 25 |
| 复杂度 | 714.226 |
化学标识符
| CAS 编号 | 85388-78-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CN(C)C.Cl.Cl |
产品概述
3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate(CAS 85388-78-9),分子式为C17H26Cl2N2O4,分子量为392.13 g/mol。IUPAC名:ethyl 2,4-bis[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate;dihydrochloride。
3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate化学性质概览
属性洞察:3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate
3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate的XLogP值为3.2819,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66.15 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,3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate有1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
3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate的CAS号是多少?
3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate的CAS号为85388-78-9。
3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate的分子式是什么?
3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate的分子式为C17H26Cl2N2O4。
3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate的分子量是多少?
3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate的分子量为392.13 g/mol。
在哪里可以购买3-Benzofurancarboxylic acid, 2,4-bis((dimethylamino)methyl)-5-hydroxy-, ethyl ester, dihydrochloride, monohydrate?
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