![ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/5824/5824-50-0.webp)
ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5824-50-0) is a chemical compound with molecular formula C24H20BrN3O6S2 and molecular weight 589.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-(5-bromo-2-hydroxy-3-nitrobenzylidene)-7-methyl-5-[4-(methylthio)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C24H20BrN3O6S2 |
|---|---|
| Molecular Weight | 589.00 g/mol |
| LogP | 3.8965 |
| Topological Polar Surface Area | 124.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 588.9977 |
| Heavy Atoms | 36 |
| Complexity | 1591.4144 |
Chemical Identifiers
| CAS Number | 5824-50-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)/C(=C/C4=C(C(=CC(=C4)Br)[N+](=O)[O-])O)/S2)C |
Product Overview
ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5824-50-0), with molecular formula C24H20BrN3O6S2 and molecular weight 589.00 g/mol. IUPAC: ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 3.8965 indicates that ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 5824-50-0.
What is the molecular formula of ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C24H20BrN3O6S2.
What is the molecular weight of ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 589.00 g/mol.
Where can I buy ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.