![4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile structure](/static/products/540/540512-75-2.png)
4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
TL;DR: 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile (CAS 540512-75-2) is a chemical compound with molecular formula C18H14FN5O2 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Also Known As: 4-(4-(4-fluorophenyl)piperazin-1-yl)-5-nitrophthalonitrile, 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile, 2-CYANO-4-[4-(4-FLUOROPHENYL)PIPERAZINO]-5-NITROPHENYL CYANIDE
| Molecular Formula | C18H14FN5O2 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 2.80386 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.11316 |
| Heavy Atoms | 26 |
| Complexity | 922.32324 |
Chemical Identifiers
| CAS Number | 540512-75-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-] |
Product Overview
4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile (CAS 540512-75-2), with molecular formula C18H14FN5O2 and molecular weight 351.11 g/mol. IUPAC: 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Property Insights of 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
The XLogP value of 2.80386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile 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 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile?
The CAS number of 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile is 540512-75-2.
What is the molecular formula of 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile?
The molecular formula of 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile is C18H14FN5O2.
What is the molecular weight of 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile?
The molecular weight of 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile is 351.11 g/mol.
Where can I buy 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile?
You can request a quote for 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.