TL;DR: Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester (CAS 129982-35-0) is a chemical compound with molecular formula C34H44BrN3O9Si and molecular weight 745.203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-acetyloxy-8-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,3,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
Also Known As: Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, Methyl 1-(acetyloxy)-8-(bromomethyl)-4-{[tert-butyl(dimethyl)silyl]oxy}-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 1-(acetyloxy)-8-(bromomethyl)-4-{[tert-butyldi(methyl)silyl]oxy}-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 1-acetyloxy-8-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,3,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
| Molecular Formula | C34H44BrN3O9Si |
| Molecular Weight | 745.203 g/mol |
| XLogP | 6.678 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 745.203 Da |
| Heavy Atoms | 48 |
| Complexity | 1220.0 |
| SMILES | CC(=O)OC1C2=C3C(CN(C3=CC(=C2NC1(C)C(=O)OC)O[Si](C)(C)C(C)(C)C)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CBr |
| InChIKey | DERWIVTUIJCWFP-UHFFFAOYSA-N |
The XLogP value of 6.678 indicates that Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester. Following Lipinski's Rule of Five, Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is 129982-35-0.
The molecular formula of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is C34H44BrN3O9Si.
The molecular weight of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is 745.203 g/mol.
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