(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile
概要:(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile(CAS 877785-25-6)是一种化学化合物,分子式为C21H22N2O5S,分子量为414.12 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)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile
又称:(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile, (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-5-(4-propoxybenzylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile, (Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-5-(4-propoxybenzylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile, 1-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]-1,2,5,6-tetrahydropyridine-3-carbonitrile
| 分子式 | C21H22N2O5S |
|---|---|
| 分子量 | 414.12 g/mol |
| LogP | 2.25478 |
| 拓扑极性表面积 | 104.54 Ų |
| 氢键供体数 | 0 |
| 氢键受体数 | 6 |
| 可旋转键数 | 5 |
| 精确质量 | 414.12494 |
| 重原子数 | 29 |
| 复杂度 | 1045.5376 |
化学标识符
| CAS 编号 | 877785-25-6 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)/C=C\2/C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C |
产品概述
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile(CAS 877785-25-6),分子式为C21H22N2O5S,分子量为414.12 g/mol。IUPAC名:(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile。
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile化学性质概览
属性洞察:(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile的XLogP值为2.25478,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104.54 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,(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile有0个氢键供体和6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
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile的CAS号是多少?
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile的CAS号为877785-25-6。
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile的分子式是什么?
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile的分子式为C21H22N2O5S。
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile的分子量是多少?
(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile的分子量为414.12 g/mol。
在哪里可以购买(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile?
您可以直接向科弘生物询价(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-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(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-3-carbonitrile的定制合成服务?
是的,科弘生物提供(5Z)-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-5-[(4-propoxyphenyl)methylidene]pyridine-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。