1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride
TL;DR: 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride (CAS 140447-62-7) is a chemical compound with molecular formula C33H41BrCl2N6O9 and molecular weight 814.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(2-aminoethyl)piperazine-1-carbonyl]oxy-8-bromo-6-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indole-2-carbonyl]-2-methyl-1-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2-carboxylate;dihydrochloride
Also Known As: 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride, methyl 4-[4-(2-aminoethyl)piperazine-1-carbonyl]oxy-8-bromo-6-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indole-2-carbonyl]-2-methyl-1-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2-carboxylate dihydrochloride, Methyl 4-{[4-(2-aminoethyl)piperazine-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--hydrogen chloride (1/2)
| Molecular Formula | C33H41BrCl2N6O9 |
|---|---|
| Molecular Weight | 814.15 g/mol |
| LogP | 3.1024 |
| Topological Polar Surface Area | 188.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 814.14954 |
| Heavy Atoms | 51 |
| Complexity | 1850.9487 |
Chemical Identifiers
| CAS Number | 140447-62-7 |
|---|---|
| SMILES | CC1(C(=O)C2=C3CC(CN(C3=CC(=C2N1)OC(=O)N4CCN(CC4)CCN)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)CO)Br)C(=O)OC.Cl.Cl |
Product Overview
1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride (CAS 140447-62-7), with molecular formula C33H41BrCl2N6O9 and molecular weight 814.15 g/mol. IUPAC: methyl 4-[4-(2-aminoethyl)piperazine-1-carbonyl]oxy-8-bromo-6-[5-(hydroxymethyl)-6,7-dimethoxy-1H-indole-2-carbonyl]-2-methyl-1-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]quinoline-2-carboxylate;dihydrochloride.
Chemical Property Profile of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride
Property Insights of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride
The XLogP value of 3.1024 indicates that 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.99 Ų indicates high polarity, suggesting 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride 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-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride has 4 hydrogen bond donor(s) and 12 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-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride?
The CAS number of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride is 140447-62-7.
What is the molecular formula of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride?
The molecular formula of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride is C33H41BrCl2N6O9.
What is the molecular weight of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride?
The molecular weight of 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride is 814.15 g/mol.
Where can I buy 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride?
You can request a quote for 1H-Pyrrolo(3,2-f)quinoline-2-carboxylic acid, 2,3,6,7,8,9-hexahydro-4-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride 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-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride?
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-(((4-(2-aminoethyl)-1-piperazinyl)carbonyl)oxy)-8-bromo-2-methyl-1-oxo-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.