![3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile structure](/static/products/5512/5512-19-6.webp)
3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile
TL;DR: 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile (CAS 5512-19-6) is a chemical compound with molecular formula C19H14F4N4O3 and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile
Also Known As: 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile, 3-fluoro-4-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)benzonitrile, 3-fluoro-4-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)benzonitrile, 3-FLUORO-4-{4-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE-1-CARBONYL}BENZONITRILE
| Molecular Formula | C19H14F4N4O3 |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 3.58678 |
| Topological Polar Surface Area | 90.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.1002 |
| Heavy Atoms | 30 |
| Complexity | 1041.0507 |
Chemical Identifiers
| CAS Number | 5512-19-6 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)C#N)F |
Product Overview
3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile (CAS 5512-19-6), with molecular formula C19H14F4N4O3 and molecular weight 422.10 g/mol. IUPAC: 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile.
Chemical Property Profile of 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile
Property Insights of 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile
The XLogP value of 3.58678 indicates that 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile. Following Lipinski's Rule of Five, 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile 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-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile?
The CAS number of 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile is 5512-19-6.
What is the molecular formula of 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile?
The molecular formula of 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile is C19H14F4N4O3.
What is the molecular weight of 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile?
The molecular weight of 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile is 422.10 g/mol.
Where can I buy 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile?
You can request a quote for 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.