1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)-
TL;DR: 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)- (CAS 18631-04-4) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one
Also Known As: 1(2h)-isoquinolinone, 3-(4-methyl-1-piperazinyl)-, 3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one, 3-(4-methylpiperazin-1-yl)-1,2-dihydroisoquinolin-1-one, 1(2h)-isoquinolinone,3-(4-methyl-1-piperazinyl)-
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 1.2799 |
| Topological Polar Surface Area | 39.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 611.7104 |
Chemical Identifiers
| CAS Number | 18631-04-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3C(=O)N2 |
Product Overview
1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)- (CAS 18631-04-4), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: 3-(4-methylpiperazin-1-yl)-2H-isoquinolin-1-one.
Chemical Property Profile of 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)-
Property Insights of 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)-
The XLogP value of 1.2799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)-. With a topological polar surface area (TPSA) of 39.34 Ų, 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)- has 1 hydrogen bond donor(s) and 3 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 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)-?
The CAS number of 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)- is 18631-04-4.
What is the molecular formula of 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)-?
The molecular formula of 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)- is C14H17N3O.
What is the molecular weight of 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)-?
The molecular weight of 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)- is 243.14 g/mol.
Where can I buy 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)-?
You can request a quote for 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1(2h)-Isoquinolinone, 3-(4-methyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.