![4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide structure](/static/products/6906/690699-85-5.webp)
4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
TL;DR: 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 690699-85-5) is a chemical compound with molecular formula C18H17F3N4O2S and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Also Known As: 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
| Molecular Formula | C18H17F3N4O2S |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 4.1326 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.10242 |
| Heavy Atoms | 28 |
| Complexity | 865.8796 |
Chemical Identifiers
| CAS Number | 690699-85-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide (CAS 690699-85-5), with molecular formula C18H17F3N4O2S and molecular weight 410.10 g/mol. IUPAC: 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Property Insights of 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
The XLogP value of 4.1326 indicates that 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide has 1 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 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The CAS number of 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 690699-85-5.
What is the molecular formula of 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular formula of 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is C18H17F3N4O2S.
What is the molecular weight of 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
The molecular weight of 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide is 410.10 g/mol.
Where can I buy 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
You can request a quote for 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.