methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
概要:methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate(CAS 847245-93-6)是一种化学化合物,分子式为C26H33N3O5,分子量为467.24 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。
methyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
又称:methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate, methyl 4-(1-(2-(dimethylamino)ethyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[1-(2-dimethylaminoethyl)-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| 分子式 | C26H33N3O5 |
|---|---|
| 分子量 | 467.24 g/mol |
| LogP | 3.52484 |
| 拓扑极性表面积 | 102.94 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 6 |
| 可旋转键数 | 7 |
| 精确质量 | 467.24203 |
| 重原子数 | 34 |
| 复杂度 | 1141.931 |
化学标识符
| CAS 编号 | 847245-93-6 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(C)C)/O)C)C(=O)OC |
产品概述
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate(CAS 847245-93-6),分子式为C26H33N3O5,分子量为467.24 g/mol。IUPAC名:methyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate。
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate化学性质概览
属性洞察:methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate的XLogP值为3.52484,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102.94 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,methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate有2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
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate的CAS号是多少?
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate的CAS号为847245-93-6。
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate的分子式是什么?
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate的分子式为C26H33N3O5。
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate的分子量是多少?
methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate的分子量为467.24 g/mol。
在哪里可以购买methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate?
您可以直接向科弘生物询价methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-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methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate的定制合成服务?
是的,科弘生物提供methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-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。