![(5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one structure](/static/products/577/577985-40-1.png)
(5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one
TL;DR: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one (CAS 577985-40-1) is a chemical compound with molecular formula C21H19ClN4O4S and molecular weight 458.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one
Also Known As: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one, (E)-2-(4-(3-chloro-4-methylphenyl)piperazin-1-yl)-5-(4-hydroxy-3-nitrobenzylidene)thiazol-4(5H)-one
| Molecular Formula | C21H19ClN4O4S |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 4.05472 |
| Topological Polar Surface Area | 99.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.08154 |
| Heavy Atoms | 31 |
| Complexity | 1126.3579 |
Chemical Identifiers
| CAS Number | 577985-40-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=O)/C(=C\C4=CC(=C(C=C4)O)[N+](=O)[O-])/S3)Cl |
Product Overview
(5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one (CAS 577985-40-1), with molecular formula C21H19ClN4O4S and molecular weight 458.08 g/mol. IUPAC: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one.
Chemical Property Profile of (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one
Property Insights of (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one
The XLogP value of 4.05472 indicates that (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-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 (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one. Following Lipinski's Rule of Five, (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-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 (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one?
The CAS number of (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one is 577985-40-1.
What is the molecular formula of (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one?
The molecular formula of (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one is C21H19ClN4O4S.
What is the molecular weight of (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one?
The molecular weight of (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one is 458.08 g/mol.
Where can I buy (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one?
You can request a quote for (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-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)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.