![4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide structure](/static/products/4967/496777-50-5.webp)
4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide
TL;DR: 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide (CAS 496777-50-5) is a chemical compound with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide
Also Known As: 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide, 4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide, 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide, 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(4-methoxyphenyl)-1-piperazinecarbothioamide, 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide
| Molecular Formula | C26H26N4O3S |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 3.459 |
| Topological Polar Surface Area | 65.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.17258 |
| Heavy Atoms | 34 |
| Complexity | 1201.8904 |
Chemical Identifiers
| CAS Number | 496777-50-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide (CAS 496777-50-5), with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol. IUPAC: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide
Property Insights of 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide
The XLogP value of 3.459 indicates that 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide 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-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide?
The CAS number of 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide is 496777-50-5.
What is the molecular formula of 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide is C26H26N4O3S.
What is the molecular weight of 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide is 474.17 g/mol.
Where can I buy 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.