2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one
TL;DR: 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one (CAS 892269-81-7) is a chemical compound with molecular formula C21H29N3O4 and molecular weight 387.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one
Also Known As: 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one, 6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one, 6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one
| Molecular Formula | C21H29N3O4 |
|---|---|
| Molecular Weight | 387.22 g/mol |
| LogP | 2.0623 |
| Topological Polar Surface Area | 64.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.21582 |
| Heavy Atoms | 28 |
| Complexity | 927.3731 |
Chemical Identifiers
| CAS Number | 892269-81-7 |
|---|---|
| SMILES | CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C |
Product Overview
2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one (CAS 892269-81-7), with molecular formula C21H29N3O4 and molecular weight 387.22 g/mol. IUPAC: 6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one.
Chemical Property Profile of 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one
Property Insights of 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one
The XLogP value of 2.0623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one. The TPSA of 64.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one. Following Lipinski's Rule of Five, 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one?
The CAS number of 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one is 892269-81-7.
What is the molecular formula of 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one?
The molecular formula of 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one is C21H29N3O4.
What is the molecular weight of 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one?
The molecular weight of 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one is 387.22 g/mol.
Where can I buy 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one?
You can request a quote for 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutyl-6,7-dimethoxy-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.