ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate
概要:ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate(CAS 1025020-04-5)是一种化学化合物,分子式为C25H29N5O5S2,分子量为543.16 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-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate
又称:ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate, (Z)-ethyl 2-(1-(3-((3-(sec-butyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate, (1-{3-[3-sec-Butyl-4-oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimi din-2-yl}-3-oxo-piperazin-2-yl)-acetic acid ethyl ester, ethyl 2-[1-(9-methyl-3-{[3-(methylpropyl)-4-oxo-2-thioxo(1,3-thiazolidin-5-yli dene)]methyl}-4-oxo(5-hydropyridino[1,2-a]pyrimidin-2-yl))-3-oxopiperazin-2-yl ]acetate, ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate
| 分子式 | C25H29N5O5S2 |
|---|---|
| 分子量 | 543.16 g/mol |
| LogP | 2.26062 |
| 拓扑极性表面积 | 113.32 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 9 |
| 可旋转键数 | 7 |
| 精确质量 | 543.161 |
| 重原子数 | 37 |
| 复杂度 | 1371.2301 |
化学标识符
| CAS 编号 | 1025020-04-5 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCNC(=O)C4CC(=O)OCC)/SC1=S |
产品概述
ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate(CAS 1025020-04-5),分子式为C25H29N5O5S2,分子量为543.16 g/mol。IUPAC名:ethyl 2-[1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate。
ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate化学性质概览
属性洞察:ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate
ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate的XLogP值为2.26062,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113.32 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 [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate有1个氢键供体和9个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate的CAS号是多少?
ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate的CAS号为1025020-04-5。
ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate的分子式是什么?
ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate的分子式为C25H29N5O5S2。
ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate的分子量是多少?
ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate的分子量为543.16 g/mol。
在哪里可以购买ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate?
您可以直接向科弘生物询价ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate。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ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate的定制合成服务?
是的,科弘生物提供ethyl [1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl]acetate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。