Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
TL;DR: Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester (CAS 129953-23-7) is a chemical compound with molecular formula C29H31BrN4O9 and molecular weight 658.12744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 8-(bromomethyl)-4-(dimethylcarbamoyloxy)-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[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-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, Benzo[1,2-b:4,3-b']dipyrrole-2-carboxylicacid,8-(bromomethyl)-4-[[(dimethylamino)carbonyl]oxy]-1,2,3,6,7,8-hexahydro-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-,methyl ester (9CI), Benzo[1,2-b:4,3-b']dipyrrole-2-carboxylicacid,8-(bromomethyl)-4-[[(dimethylamino)carbonyl]oxy]-1,2,3,6,7,8-hexahydro-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-,methyl ester(9ci), methyl 8-(bromomethyl)-4-(dimethylcarbamoyloxy)-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate, Methyl 8-(bromomethyl)-4-[(dimethylcarbamoyl)oxy]-2-methyl-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate
Technical Specifications
| Molecular Formula | C29H31BrN4O9 |
| Molecular Weight | 658.12744 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 658.12744 Da |
| Heavy Atoms | 43 |
| Complexity | 1110.0 |
| SMILES | CC1(C(=O)C2=C3C(CN(C3=CC(=C2N1)OC(=O)N(C)C)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CBr)C(=O)OC |
| InChIKey | XZOWLOZTWOOQJK-UHFFFAOYSA-N |
Chemical Property Profile of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
Property Insights of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
The XLogP value of 3.5 indicates that Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-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 149.0 Ų indicates high polarity, suggesting Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-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.
Frequently Asked Questions
What is the CAS number of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
The CAS number of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is 129953-23-7.
What is the molecular formula of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
The molecular formula of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is C29H31BrN4O9.
What is the molecular weight of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
The molecular weight of Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is 658.12744 g/mol.
Where can I buy Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
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Does CoreyChem offer custom synthesis for Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-8-(bromomethyl)-4-(((dimethylamino)carbonyl)oxy)-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.