![2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/4942/494200-97-4.webp)
2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 494200-97-4) is a chemical compound with molecular formula C25H22FN3O3 and molecular weight 431.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, AF-399/41178809, 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzo[de]isoquinoline-1,3-dione, 2-(3-(4-(4-fluorophenyl)piperazin-1-yl)-3-oxopropyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C25H22FN3O3 |
|---|---|
| Molecular Weight | 431.16 g/mol |
| LogP | 3.3138 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.16452 |
| Heavy Atoms | 32 |
| Complexity | 1166.0841 |
Chemical Identifiers
| CAS Number | 494200-97-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 494200-97-4), with molecular formula C25H22FN3O3 and molecular weight 431.16 g/mol. IUPAC: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 3.3138 indicates that 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione has 0 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 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is 494200-97-4.
What is the molecular formula of 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is C25H22FN3O3.
What is the molecular weight of 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is 431.16 g/mol.
Where can I buy 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.