N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide
概要:N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide(CAS 578002-37-6)是一种化学化合物,分子式为C20H20N4O3S,分子量为396.13 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。
N-[4-[2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]phenyl]acetamide
又称:N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide, (E)-N-(4-(2,5-dimethyl-3-((1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)phenyl)acetamide, N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide, N-[4-[2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]phenyl]acetamide
| 分子式 | C20H20N4O3S |
|---|---|
| 分子量 | 396.13 g/mol |
| LogP | 2.30904 |
| 拓扑极性表面积 | 83.44 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 3 |
| 精确质量 | 396.1256 |
| 重原子数 | 28 |
| 复杂度 | 1034.4653 |
化学标识符
| CAS 编号 | 578002-37-6 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)NC(=O)C)C)/C=C/3\C(=O)NC(=S)N(C3=O)C |
产品概述
N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide(CAS 578002-37-6),分子式为C20H20N4O3S,分子量为396.13 g/mol。IUPAC名:N-[4-[2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]phenyl]acetamide。
N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide化学性质概览
属性洞察:N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide
N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide的XLogP值为2.30904,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83.44 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,N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide有2个氢键供体和4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
N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide的CAS号是多少?
N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide的CAS号为578002-37-6。
N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide的分子式是什么?
N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide的分子式为C20H20N4O3S。
N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide的分子量是多少?
N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide的分子量为396.13 g/mol。
在哪里可以购买N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide?
您可以直接向科弘生物询价N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide。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N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide的定制合成服务?
是的,科弘生物提供N-(4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}phenyl)acetamide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。