Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2)
TL;DR: Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2) (CAS 70753-02-5) is a chemical compound with molecular formula C42H53BrN4O15 and molecular weight 932.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-methyl-1-[2-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-2H-quinolin-1-yl]butan-1-one;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
Also Known As: Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2), 2-bromo-3-methyl-1-[2-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-2H-quinolin-1-yl]butan-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-bromo-3-methyl-1-[2-{1-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}quinolin-1(2H)-yl]butan-1-one (2/1), RefChem:378480
| Molecular Formula | C42H53BrN4O15 |
|---|---|
| Molecular Weight | 932.27 g/mol |
| LogP | 3.3024 |
| Topological Polar Surface Area | 295.98 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 932.2691 |
| Heavy Atoms | 62 |
| Complexity | 2044.5177 |
Chemical Identifiers
| CAS Number | 70753-02-5 |
|---|---|
| SMILES | CC(C)C(C(=O)N1C(C=CC2=CC=CC=C21)C3=CN(C4=CC=CC=C43)CCCN5CCN(CC5)C)Br.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2) (CAS 70753-02-5), with molecular formula C42H53BrN4O15 and molecular weight 932.27 g/mol. IUPAC: 2-bromo-3-methyl-1-[2-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-2H-quinolin-1-yl]butan-1-one;bis(2-hydroxypropane-1,2,3-tricarboxylic acid).
Chemical Property Profile of Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2)
Property Insights of Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2)
The XLogP value of 3.3024 indicates that Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 295.98 Ų indicates high polarity, suggesting Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2) has 8 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 Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2)?
The CAS number of Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2) is 70753-02-5.
What is the molecular formula of Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2)?
The molecular formula of Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2) is C42H53BrN4O15.
What is the molecular weight of Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2)?
The molecular weight of Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2) is 932.27 g/mol.
Where can I buy Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2)?
You can request a quote for Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Quinoline, 1,2-dihydro-1-(2-bromo-3-methyl-1-oxobutyl)-2-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.