4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
概要:4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile(CAS 846028-80-6)是一种化学化合物,分子式为C26H32N4O4,分子量为464.24 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。
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(E)-(4-methylpiperazin-1-yl)methylideneamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
又称:4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, (E)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-(((4-methylpiperazin-1-yl)methylene)amino)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 4-(3,4-dimethoxyphenyl)-5-keto-7,7-dimethyl-2-[(4-methylpiperazino)methyleneamino]-6,8-dihydro-4H-chromene-3-carbonitrile, 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(4-methyl-1-piperazinyl)methylideneamino]-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile, 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-1-yl)methylideneamino]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile
| 分子式 | C26H32N4O4 |
|---|---|
| 分子量 | 464.24 g/mol |
| LogP | 3.47168 |
| 拓扑极性表面积 | 87.39 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 7 |
| 可旋转键数 | 5 |
| 精确质量 | 464.24237 |
| 重原子数 | 34 |
| 复杂度 | 1104.2876 |
化学标识符
| CAS 编号 | 846028-80-6 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)/N=C/N3CCN(CC3)C)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C |
产品概述
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile(CAS 846028-80-6),分子式为C26H32N4O4,分子量为464.24 g/mol。IUPAC名:4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(E)-(4-methylpiperazin-1-yl)methylideneamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile。
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile化学性质概览
属性洞察:4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile的XLogP值为3.47168,表明该化合物具有亲脂性(脂溶性好),可能影响其吸收、分布和配方策略。 TPSA为87.39 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,4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile有0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
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile的CAS号是多少?
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile的CAS号为846028-80-6。
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile的分子式是什么?
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile的分子式为C26H32N4O4。
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile的分子量是多少?
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile的分子量为464.24 g/mol。
在哪里可以购买4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
您可以直接向科弘生物询价4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile。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4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile的定制合成服务?
是的,科弘生物提供4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile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。