![(5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one structure](/static/products/714/714253-94-8.png)
(5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
TL;DR: (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one (CAS 714253-94-8) is a chemical compound with molecular formula C21H17F3N4O3S and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-nitrophenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one
Also Known As: (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one, (5E)-5-[(3-nitrophenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one, (E)-5-(3-nitrobenzylidene)-2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)thiazol-4(5H)-one
| Molecular Formula | C21H17F3N4O3S |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 4.4061 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.09735 |
| Heavy Atoms | 32 |
| Complexity | 1125.2681 |
Chemical Identifiers
| CAS Number | 714253-94-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=O)/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/S3 |
Product Overview
(5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one (CAS 714253-94-8), with molecular formula C21H17F3N4O3S and molecular weight 462.10 g/mol. IUPAC: (5E)-5-[(3-nitrophenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one.
Chemical Property Profile of (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
Property Insights of (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
The XLogP value of 4.4061 indicates that (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one 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 (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one?
The CAS number of (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one is 714253-94-8.
What is the molecular formula of (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one?
The molecular formula of (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one is C21H17F3N4O3S.
What is the molecular weight of (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one?
The molecular weight of (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one is 462.10 g/mol.
Where can I buy (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one?
You can request a quote for (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(3-nitrobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.