3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile
TL;DR: 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile (CAS 313394-39-7) is a chemical compound with molecular formula C13H15FN4O2 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]propanenitrile
Also Known As: 3-(4-{2-fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile, 3-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]propanenitrile, AB00096672-01, A1933/0081358, 3-[4-(2-fluoro-4-nitrophenyl)piperazinyl]propanenitrile
| Molecular Formula | C13H15FN4O2 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 1.76958 |
| Topological Polar Surface Area | 73.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.1179 |
| Heavy Atoms | 20 |
| Complexity | 535.66296 |
Chemical Identifiers
| CAS Number | 313394-39-7 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C2=C(C=C(C=C2)[N+](=O)[O-])F |
Product Overview
3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile (CAS 313394-39-7), with molecular formula C13H15FN4O2 and molecular weight 278.12 g/mol. IUPAC: 3-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]propanenitrile.
Chemical Property Profile of 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile
Property Insights of 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile
The XLogP value of 1.76958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile. The TPSA of 73.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile. Following Lipinski's Rule of Five, 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile has 0 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 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile?
The CAS number of 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile is 313394-39-7.
What is the molecular formula of 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile?
The molecular formula of 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile is C13H15FN4O2.
What is the molecular weight of 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile?
The molecular weight of 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile is 278.12 g/mol.
Where can I buy 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile?
You can request a quote for 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-{2-Fluoro-4-nitrophenyl}-1-piperazinyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.