Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-
TL;DR: Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)- (CAS 70753-04-7) is a chemical compound with molecular formula C30H37BrN4O and molecular weight 548.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-methyl-1-[1-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-1H-isoquinolin-2-yl]butan-1-one
Also Known As: Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-, 2-bromo-3-methyl-1-[1-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-1H-isoquinolin-2-yl]butan-1-one, 2-Bromo-3-methyl-1-[1-{1-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}isoquinolin-2(1H)-yl]butan-1-one, RefChem:349960
| Molecular Formula | C30H37BrN4O |
|---|---|
| Molecular Weight | 548.22 g/mol |
| LogP | 5.6006 |
| Topological Polar Surface Area | 31.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.2151 |
| Heavy Atoms | 36 |
| Complexity | 1240.7297 |
Chemical Identifiers
| CAS Number | 70753-04-7 |
|---|---|
| SMILES | CC(C)C(C(=O)N1C=CC2=CC=CC=C2C1C3=CN(C4=CC=CC=C43)CCCN5CCN(CC5)C)Br |
Product Overview
Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)- (CAS 70753-04-7), with molecular formula C30H37BrN4O and molecular weight 548.22 g/mol. IUPAC: 2-bromo-3-methyl-1-[1-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-1H-isoquinolin-2-yl]butan-1-one.
Chemical Property Profile of Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-
Property Insights of Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-
The XLogP value of 5.6006 indicates that Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.72 Ų, Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-?
The CAS number of Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)- is 70753-04-7.
What is the molecular formula of Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-?
The molecular formula of Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)- is C30H37BrN4O.
What is the molecular weight of Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-?
The molecular weight of Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)- is 548.22 g/mol.
Where can I buy Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-?
You can request a quote for Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1,2-dihydro-2-(2-bromo-3-methyl-1-oxobutyl)-1-(1-(3-(4-methyl-1-piperazinyl)propyl)-1H-indol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.