(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
概要:(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate(CAS 799769-17-8)是一种化学化合物,分子式为C22H25N5O4,分子量为423.19 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 1-[3-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate
又称:(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate, ethyl 1-[3-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate, ethyl 1-{3-[(1E)-2-cyano-2-(methylcarbamoyl)eth-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate, ethyl 1-{3-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-3-carboxylate
| 分子式 | C22H25N5O4 |
|---|---|
| 分子量 | 423.19 g/mol |
| LogP | 1.4354 |
| 拓扑极性表面积 | 116.8 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 7 |
| 可旋转键数 | 5 |
| 精确质量 | 423.19064 |
| 重原子数 | 31 |
| 复杂度 | 1145.0211 |
化学标识符
| CAS 编号 | 799769-17-8 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)NC |
产品概述
(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate(CAS 799769-17-8),分子式为C22H25N5O4,分子量为423.19 g/mol。IUPAC名:ethyl 1-[3-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate。
(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate化学性质概览
属性洞察:(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate的XLogP值为1.4354,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116.8 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,(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate有1个氢键供体和7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
(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate的CAS号是多少?
(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate的CAS号为799769-17-8。
(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate的分子式是什么?
(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate的分子式为C22H25N5O4。
(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate的分子量是多少?
(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate的分子量为423.19 g/mol。
在哪里可以购买(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate?
您可以直接向科弘生物询价(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-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(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate的定制合成服务?
是的,科弘生物提供(E)-ethyl 1-(3-(2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-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。