(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione
概要:(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione(CAS 892616-34-1)是一种化学化合物,分子式为C22H22N6O5S,分子量为482.14 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。
7'-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
又称:(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione, 7'-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione, 7'-{[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]amino}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
| 分子式 | C22H22N6O5S |
|---|---|
| 分子量 | 482.14 g/mol |
| LogP | 1.45039 |
| 拓扑极性表面积 | 142.17 Ų |
| 氢键供体数 | 3 |
| 氢键受体数 | 8 |
| 可旋转键数 | 2 |
| 精确质量 | 482.13724 |
| 重原子数 | 34 |
| 复杂度 | 1370.8845 |
化学标识符
| CAS 编号 | 892616-34-1 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)N=CC4=C(NC(=S)NC4=O)O)N5C2CCC5)C(=O)N(C1=O)C |
产品概述
(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione(CAS 892616-34-1),分子式为C22H22N6O5S,分子量为482.14 g/mol。IUPAC名:7'-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione。
(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione化学性质概览
属性洞察:(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione
(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione的XLogP值为1.45039,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142.17 Ų,极性较高,提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则,(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione有3个氢键供体和8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
(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione的CAS号是多少?
(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione的CAS号为892616-34-1。
(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione的分子式是什么?
(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione的分子式为C22H22N6O5S。
(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione的分子量是多少?
(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione的分子量为482.14 g/mol。
在哪里可以购买(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione?
您可以直接向科弘生物询价(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione。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(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione的定制合成服务?
是的,科弘生物提供(Z)-7'-(((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)amino)-1,3-dimethyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione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。