2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
概要:2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one(CAS 497241-14-2)是一种化学化合物,分子式为C27H29N5O3S2,分子量为535.17 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。
(5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
又称:2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one, (5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, 5-({2-[4-(2-hydroxyethyl)piperazinyl]-7-methyl-4-oxo(5-hydropyridino[1,2-a]pyr imidin-3-yl)}methylene)-3-[(4-methylphenyl)methyl]-2-thioxo-1,3-thiazolidin-4- one
| 分子式 | C27H29N5O3S2 |
|---|---|
| 分子量 | 535.17 g/mol |
| LogP | 2.82704 |
| 拓扑极性表面积 | 81.39 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 8 |
| 可旋转键数 | 6 |
| 精确质量 | 535.1712 |
| 重原子数 | 37 |
| 复杂度 | 1442.9124 |
化学标识符
| CAS 编号 | 497241-14-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(N=C4C=CC(=CN4C3=O)C)N5CCN(CC5)CCO)/SC2=S |
产品概述
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one(CAS 497241-14-2),分子式为C27H29N5O3S2,分子量为535.17 g/mol。IUPAC名:(5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one。
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one化学性质概览
属性洞察:2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one的XLogP值为2.82704,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81.39 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,2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one有1个氢键供体和8个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one的CAS号是多少?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one的CAS号为497241-14-2。
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one的分子式是什么?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one的分子式为C27H29N5O3S2。
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one的分子量是多少?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one的分子量为535.17 g/mol。
在哪里可以购买2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
您可以直接向科弘生物询价2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one。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2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one的定制合成服务?
是的,科弘生物提供2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one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。