(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile
概要：(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile（CAS 127882-56-8）是一种化学化合物，分子式为C28H24N2O7，分子量为500.16 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-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile
又称：(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile, 4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile, 4-{[(5R,9S)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}benzonitrile, 4-{[9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]amino}benzonitrile
| 分子式 | C28H24N2O7 |
|---|---|
| 分子量 | 500.16 g/mol |
| LogP | 3.8 |
| 拓扑极性表面积 | 119.0 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 9 |
| 可旋转键数 | 5 |
| 精确质量 | 500.15836 |
| 重原子数 | 37 |
| 复杂度 | 871.0 |
化学标识符
| CAS 编号 | 127882-56-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@@H]2C3C(COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C#N |
| InChIKey | DSVDQMLQXBKSBA-DRUBAWLRSA-N |
产品概述
(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile（CAS 127882-56-8），分子式为C28H24N2O7，分子量为500.16 g/mol。IUPAC名：4-[[(5R,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile。
(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile化学性质概览
属性洞察：(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile
(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile的XLogP值为3.8，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119.0 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，(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile有2个氢键供体和9个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile的CAS号是多少？
(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile的CAS号为127882-56-8。
(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile的分子式是什么？
(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile的分子式为C28H24N2O7。
(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile的分子量是多少？
(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile的分子量为500.16 g/mol。
在哪里可以购买(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile？
您可以直接向科弘生物询价(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile。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(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile的定制合成服务？
是的，科弘生物提供(5S-(5alpha,6beta,8alpha,9beta))-4-((5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)amino)benzonitrile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。