![4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide structure](/static/products/3046/304645-35-0.webp)
4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
TL;DR: 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide (CAS 304645-35-0) is a chemical compound with molecular formula C22H24N4O2S and molecular weight 408.16 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-prop-2-enylpiperazine-1-carbothioamide
Also Known As: 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide, 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carbothioamide, 2-(2-{4-[allylamino(thioxo)methyl]piperazin-1-yl}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione
| Molecular Formula | C22H24N4O2S |
|---|---|
| Molecular Weight | 408.16 g/mol |
| LogP | 2.1139 |
| Topological Polar Surface Area | 55.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.162 |
| Heavy Atoms | 29 |
| Complexity | 931.18616 |
Chemical Identifiers
| CAS Number | 304645-35-0 |
|---|---|
| SMILES | C=CCNC(=S)N1CCN(CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide (CAS 304645-35-0), with molecular formula C22H24N4O2S and molecular weight 408.16 g/mol. IUPAC: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Property Insights of 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
The XLogP value of 2.1139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 55.89 Ų, 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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-(prop-2-en-1-yl)piperazine-1-carbothioamide?
The CAS number of 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide is 304645-35-0.
What is the molecular formula of 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide?
The molecular formula of 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide is C22H24N4O2S.
What is the molecular weight of 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide?
The molecular weight of 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide is 408.16 g/mol.
Where can I buy 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide?
You can request a quote for 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)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-(prop-2-en-1-yl)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-(prop-2-en-1-yl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.