![Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/609/609795-96-2.png)
Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 609795-96-2) is a chemical compound with molecular formula C24H20ClFN2O3S2 and molecular weight 502.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, 646-032-4, Ethyl (2Z)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylsulfanyl)phen YL)-3-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate, ETHYL (2Z)-2-(2-CHLORO-6-FLUOROBENZYLIDENE)-7-METHYL-5-[4-(METHYLSULFANYL)PHEN YL]-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C24H20ClFN2O3S2 |
|---|---|
| Molecular Weight | 502.06 g/mol |
| LogP | 4.3127 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.05878 |
| Heavy Atoms | 33 |
| Complexity | 1421.5679 |
Chemical Identifiers
| CAS Number | 609795-96-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)/C(=C/C4=C(C=CC=C4Cl)F)/S2)C |
Product Overview
Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 609795-96-2), with molecular formula C24H20ClFN2O3S2 and molecular weight 502.06 g/mol. IUPAC: ethyl (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 4.3127 indicates that Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 609795-96-2.
What is the molecular formula of Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is C24H20ClFN2O3S2.
What is the molecular weight of Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 502.06 g/mol.
Where can I buy Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-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 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-chloro-6-fluorobenzylidene)-7-methyl-5-(4-(methylthio)phenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.