![4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide structure](/static/products/324/324779-84-2.png)
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide
TL;DR: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide (CAS 324779-84-2) is a chemical compound with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide
Also Known As: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide, 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(4-methylpiperazine-1-carbonothioyl)butanamide, 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-[(4-methylpiperazin-1-yl)carbonothioyl]butanamide
| Molecular Formula | C22H24N4O3S |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 1.8645 |
| Topological Polar Surface Area | 72.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.15692 |
| Heavy Atoms | 30 |
| Complexity | 979.46466 |
Chemical Identifiers
| CAS Number | 324779-84-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide (CAS 324779-84-2), with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol. IUPAC: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide.
Chemical Property Profile of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide
Property Insights of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide
The XLogP value of 1.8645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide. The TPSA of 72.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide. Following Lipinski's Rule of Five, 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide has 1 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 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide?
The CAS number of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide is 324779-84-2.
What is the molecular formula of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide?
The molecular formula of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide is C22H24N4O3S.
What is the molecular weight of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide?
The molecular weight of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide is 424.16 g/mol.
Where can I buy 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide?
You can request a quote for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylpiperazine-1-carbothioyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.