1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
TL;DR: 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester (CAS 140447-63-8) is a chemical compound with molecular formula C37H44BrN5O9 and molecular weight 781.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-bromo-6-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indole-2-carbonyl]-2-methyl-1-oxo-4-(4-piperidin-1-ylpiperidine-1-carbonyl)oxy-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2-carboxylate
Also Known As: 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, Methyl 4-[([1,4'-bipiperidine]-1'-carbonyl)oxy]-8-bromo-6-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indole-2-carbonyl]-2-methyl-1-oxo-2,3,6,7,8,9-hexahydro-1H-pyrrolo[3,2-f]quinoline-2-carboxylate, methyl 8-bromo-6-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indole-2-carbonyl]-2-methyl-1-oxo-4-(4-piperidin-1-ylpiperidine-1-carbonyl)oxy-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2-carboxylate, RefChem:240862
| Molecular Formula | C37H44BrN5O9 |
|---|---|
| Molecular Weight | 781.23 g/mol |
| LogP | 4.6328 |
| Topological Polar Surface Area | 162.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 781.23224 |
| Heavy Atoms | 52 |
| Complexity | 1933.8939 |
Chemical Identifiers
| CAS Number | 140447-63-8 |
|---|---|
| SMILES | CC1(C(=O)C2=C3CC(CN(C3=CC(=C2N1)OC(=O)N4CCC(CC4)N5CCCCC5)C(=O)C6=CC7=CC(=C(C(=C7N6)OC)OC)CO)Br)C(=O)OC |
Product Overview
1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester (CAS 140447-63-8), with molecular formula C37H44BrN5O9 and molecular weight 781.23 g/mol. IUPAC: methyl 8-bromo-6-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indole-2-carbonyl]-2-methyl-1-oxo-4-(4-piperidin-1-ylpiperidine-1-carbonyl)oxy-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2-carboxylate.
Chemical Property Profile of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
Property Insights of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
The XLogP value of 4.6328 indicates that 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-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 162.97 Ų indicates high polarity, suggesting 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-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, 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
The CAS number of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is 140447-63-8.
What is the molecular formula of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
The molecular formula of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is C37H44BrN5O9.
What is the molecular weight of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
The molecular weight of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is 781.23 g/mol.
Where can I buy 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
You can request a quote for 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((1,4'-bipiperidin)-l'-ylcarbonyl)oxy)-8-bromo-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.