8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1
概要:8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1(CAS 75084-24-1)是一种化学化合物,分子式为C19H14Cl2O9,分子量为456.00 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。
[(3R,4R,5S,7S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2,2-dichloroacetate
又称:8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1, 1,2,3,6a,8,9,9a,11-Octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl dichloroacetate (6aS-(6aalpha,8beta,9alpha,9aalpha))-, Acetic acid, dichloro-, 1,2,3,6a,8,9,9a,11-octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9alpha,9aalpha))-, (6aS,8S,9R,9aR)-9-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl dichloroacetate, 9-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl dichloroacetate
| 分子式 | C19H14Cl2O9 |
|---|---|
| 分子量 | 456.00 g/mol |
| LogP | 1.8 |
| 拓扑极性表面积 | 118.0 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 9 |
| 可旋转键数 | 4 |
| 精确质量 | 456.0015 |
| 重原子数 | 30 |
| 复杂度 | 827.0 |
化学标识符
| CAS 编号 | 75084-24-1 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@H]([C@@H](O[C@@H]5OC4=C1)OC(=O)C(Cl)Cl)O |
| InChIKey | QBYDMRFLKRAJAC-UDORUHSDSA-N |
产品概述
8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1(CAS 75084-24-1),分子式为C19H14Cl2O9,分子量为456.00 g/mol。IUPAC名:[(3R,4R,5S,7S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2,2-dichloroacetate。
8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1化学性质概览
属性洞察:8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1
8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1的XLogP值为1.8,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118.0 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,8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1有1个氢键供体和9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
8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1的CAS号是多少?
8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1的CAS号为75084-24-1。
8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1的分子式是什么?
8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1的分子式为C19H14Cl2O9。
8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1的分子量是多少?
8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1的分子量为456.00 g/mol。
在哪里可以购买8-dichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1?
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