Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer
概要：Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer（CAS 129953-18-0）是一种化学化合物，分子式为C26H28BrN3O8，分子量为589.11 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。
methyl (1R,2R,8S)-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,3,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
又称：Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer, Methyl (1R,2R,8S)-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate, methyl (1R,2R,8S)-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,3,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate, Methyl 8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate, RefChem:326013
| 分子式 | C26H28BrN3O8 |
|---|---|
| 分子量 | 589.11 g/mol |
| LogP | 3.4288 |
| 拓扑极性表面积 | 142.58 Ų |
| 氢键供体数 | 4 |
| 氢键受体数 | 9 |
| 可旋转键数 | 6 |
| 精确质量 | 589.10596 |
| 重原子数 | 38 |
| 复杂度 | 1470.9248 |
化学标识符
| CAS 编号 | 129953-18-0 |
|---|---|
| SMILES | C[C@@]1([C@@H](C2=C3[C@@H](CN(C3=CC(=C2N1)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CBr)O)C(=O)OC |
产品概述
Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer（CAS 129953-18-0），分子式为C26H28BrN3O8，分子量为589.11 g/mol。IUPAC名：methyl (1R,2R,8S)-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,3,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate。
Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer化学性质概览
属性洞察：Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer
Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer的XLogP值为3.4288，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142.58 Ų，极性较高，提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则，Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer有4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
Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer的CAS号是多少？
Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer的CAS号为129953-18-0。
Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer的分子式是什么？
Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer的分子式为C26H28BrN3O8。
Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer的分子量是多少？
Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer的分子量为589.11 g/mol。
在哪里可以购买Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-1,4-dihydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, stereoisomer？
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