(E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one
TL;DR: (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one (CAS 444051-21-2) is a chemical compound with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
Also Known As: (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one, (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one, F3060-0208, (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-4-one, 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
| Molecular Formula | C20H18N4O4S |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 3.0929 |
| Topological Polar Surface Area | 99.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.1049 |
| Heavy Atoms | 29 |
| Complexity | 1014.3962 |
Chemical Identifiers
| CAS Number | 444051-21-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)/C(=C\C4=CC(=C(C=C4)O)[N+](=O)[O-])/S3 |
Product Overview
(E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one (CAS 444051-21-2), with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol. IUPAC: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one.
Chemical Property Profile of (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one
Property Insights of (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one
The XLogP value of 3.0929 indicates that (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-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 (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one. Following Lipinski's Rule of Five, (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-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 (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one?
The CAS number of (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one is 444051-21-2.
What is the molecular formula of (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one?
The molecular formula of (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one is C20H18N4O4S.
What is the molecular weight of (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one?
The molecular weight of (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one is 410.10 g/mol.
Where can I buy (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one?
You can request a quote for (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)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 (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-phenylpiperazin-1-yl)thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.