![(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one structure](/static/products/612/612052-75-2.png)
(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
TL;DR: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one (CAS 612052-75-2) is a chemical compound with molecular formula C20H17N5O6S and molecular weight 455.09 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-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
Also Known As: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one, (E)-5-(4-hydroxy-3-nitrobenzylidene)-2-(4-(2-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one, 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
| Molecular Formula | C20H17N5O6S |
|---|---|
| Molecular Weight | 455.09 g/mol |
| LogP | 3.0011 |
| Topological Polar Surface Area | 142.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.08997 |
| Heavy Atoms | 32 |
| Complexity | 1172.8203 |
Chemical Identifiers
| CAS Number | 612052-75-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C3=NC(=O)/C(=C\C4=CC(=C(C=C4)O)[N+](=O)[O-])/S3 |
Product Overview
(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one (CAS 612052-75-2), with molecular formula C20H17N5O6S and molecular weight 455.09 g/mol. IUPAC: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one.
Chemical Property Profile of (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
Property Insights of (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
The XLogP value of 3.0011 indicates that (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.42 Ų indicates high polarity, suggesting (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one has 1 hydrogen bond donor(s) and 9 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-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one?
The CAS number of (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is 612052-75-2.
What is the molecular formula of (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one?
The molecular formula of (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is C20H17N5O6S.
What is the molecular weight of (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one?
The molecular weight of (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one is 455.09 g/mol.
Where can I buy (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one?
You can request a quote for (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)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 (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.