![4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone structure](/static/products/4304/430458-94-9.webp)
4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone
TL;DR: 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone (CAS 430458-94-9) is a chemical compound with molecular formula C15H14N2O6S2 and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-[(2-methylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]-3-nitrophenyl] acetate
Also Known As: 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone, [2-ethoxy-4-[(2-methylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]-3-nitrophenyl] acetate, 2-Ethoxy-4-{[2-(methylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}-3-nitrophenyl acetate
| Molecular Formula | C15H14N2O6S2 |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 3.2521 |
| Topological Polar Surface Area | 108.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.02933 |
| Heavy Atoms | 25 |
| Complexity | 803.4565 |
Chemical Identifiers
| CAS Number | 430458-94-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1[N+](=O)[O-])C=C2C(=O)SC(=N2)SC)OC(=O)C |
Product Overview
4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone (CAS 430458-94-9), with molecular formula C15H14N2O6S2 and molecular weight 382.03 g/mol. IUPAC: [2-ethoxy-4-[(2-methylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]-3-nitrophenyl] acetate.
Chemical Property Profile of 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone
Property Insights of 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone
The XLogP value of 3.2521 indicates that 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone. Following Lipinski's Rule of Five, 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone has 0 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 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone?
The CAS number of 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone is 430458-94-9.
What is the molecular formula of 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone?
The molecular formula of 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone is C15H14N2O6S2.
What is the molecular weight of 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone?
The molecular weight of 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone is 382.03 g/mol.
Where can I buy 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone?
You can request a quote for 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-(Acetyloxy)-3-ethoxy-2-nitrophenyl]methylene]-2-(methylthio)-5(4H)-thiazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.