![2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione structure](/static/products/6909/690963-13-4.webp)
2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione
TL;DR: 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione (CAS 690963-13-4) is a chemical compound with molecular formula C20H17FN4O5 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione
Also Known As: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione, 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-nitro-1H-isoindole-1,3(2H)-dione, 2-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-4-nitro-1H-isoindole-1,3(2H)-dione, 2-{2-[4-(4-FLUOROPHENYL)PIPERAZINO]-2-OXOETHYL}-4-NITRO-1H-ISOINDOLE-1,3(2H)-DIONE
| Molecular Formula | C20H17FN4O5 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 1.6787 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1183 |
| Heavy Atoms | 30 |
| Complexity | 1047.6624 |
Chemical Identifiers
| CAS Number | 690963-13-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-] |
Product Overview
2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione (CAS 690963-13-4), with molecular formula C20H17FN4O5 and molecular weight 412.12 g/mol. IUPAC: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione
Property Insights of 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione
The XLogP value of 1.6787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione. Following Lipinski's Rule of Five, 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione has 0 hydrogen bond donor(s) and 6 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-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione?
The CAS number of 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione is 690963-13-4.
What is the molecular formula of 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione?
The molecular formula of 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione is C20H17FN4O5.
What is the molecular weight of 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione?
The molecular weight of 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione is 412.12 g/mol.
Where can I buy 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione?
You can request a quote for 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.