![4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone structure](/static/products/4406/440662-18-0.webp)
4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone
TL;DR: 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone (CAS 440662-18-0) is a chemical compound with molecular formula C21H20ClN3O2 and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylisoquinolin-1-one
Also Known As: 4-(4-(3-chlorophenyl)piperazine-1-carbonyl)-2-methylisoquinolin-1(2H)-one, 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone, 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methyl-isoquinolin-1-one, 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylisoquinolin-1-one, 4-[4-(3-CHLOROPHENYL)PIPERAZINE-1-CARBONYL]-2-METHYL-1,2-DIHYDROISOQUINOLIN-1-ONE
| Molecular Formula | C21H20ClN3O2 |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | 3.1543 |
| Topological Polar Surface Area | 45.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.1244 |
| Heavy Atoms | 27 |
| Complexity | 1068.455 |
Chemical Identifiers
| CAS Number | 440662-18-0 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone (CAS 440662-18-0), with molecular formula C21H20ClN3O2 and molecular weight 381.12 g/mol. IUPAC: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylisoquinolin-1-one.
Chemical Property Profile of 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone
Property Insights of 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone
The XLogP value of 3.1543 indicates that 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.55 Ų, 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone has 0 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 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone?
The CAS number of 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone is 440662-18-0.
What is the molecular formula of 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone?
The molecular formula of 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone is C21H20ClN3O2.
What is the molecular weight of 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone?
The molecular weight of 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone is 381.12 g/mol.
Where can I buy 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone?
You can request a quote for 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(3-chlorophenyl)piperazino]carbonyl}-2-methyl-1(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.