![ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/3130/313068-71-2.webp)
ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 313068-71-2) is a chemical compound with molecular formula C21H17ClN2O3S2 and molecular weight 444.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2Z)-5-(4-CHLOROPHENYL)-7-METHYL-3-OXO-2-[(THIOPHEN-2-YL)METHYLIDENE]-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, ethyl 5-(4-chlorophenyl)-7-methyl-3-oxo-2-(2-thienylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C21H17ClN2O3S2 |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 3.5132 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.03693 |
| Heavy Atoms | 29 |
| Complexity | 1268.9207 |
Chemical Identifiers
| CAS Number | 313068-71-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C/C4=CC=CS4)/S2)C |
Product Overview
ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 313068-71-2), with molecular formula C21H17ClN2O3S2 and molecular weight 444.04 g/mol. IUPAC: ethyl (2Z)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 3.5132 indicates that ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-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 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 6 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 ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 313068-71-2.
What is the molecular formula of ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C21H17ClN2O3S2.
What is the molecular weight of ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 444.04 g/mol.
Where can I buy ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-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 (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.