![5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one structure](/static/products/4791/4791-27-9.webp)
5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one
TL;DR: 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one (CAS 4791-27-9) is a chemical compound with molecular formula C21H17F3N4O4S and molecular weight 478.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one
Also Known As: 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one, 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one
| Molecular Formula | C21H17F3N4O4S |
|---|---|
| Molecular Weight | 478.09 g/mol |
| LogP | 4.1117 |
| Topological Polar Surface Area | 99.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.09225 |
| Heavy Atoms | 33 |
| Complexity | 1174.34 |
Chemical Identifiers
| CAS Number | 4791-27-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=O)C(=CC4=CC(=C(C=C4)O)[N+](=O)[O-])S3 |
Product Overview
5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one (CAS 4791-27-9), with molecular formula C21H17F3N4O4S and molecular weight 478.09 g/mol. IUPAC: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one.
Chemical Property Profile of 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one
Property Insights of 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one
The XLogP value of 4.1117 indicates that 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one. Following Lipinski's Rule of Five, 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one has 1 hydrogen bond donor(s) and 7 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 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one?
The CAS number of 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one is 4791-27-9.
What is the molecular formula of 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one?
The molecular formula of 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one is C21H17F3N4O4S.
What is the molecular weight of 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one?
The molecular weight of 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one is 478.09 g/mol.
Where can I buy 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one?
You can request a quote for 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.