![ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/5827/5827-89-4.webp)
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5827-89-4) is a chemical compound with molecular formula C22H17IN2O6S and molecular weight 563.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl (2E)-5-(2H-1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H17IN2O6S |
|---|---|
| Molecular Weight | 563.99 g/mol |
| LogP | 2.7246 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 563.9852 |
| Heavy Atoms | 32 |
| Complexity | 1447.5962 |
Chemical Identifiers
| CAS Number | 5827-89-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)/C(=C\C5=CC=C(O5)I)/S2)C |
Product Overview
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5827-89-4), with molecular formula C22H17IN2O6S and molecular weight 563.99 g/mol. IUPAC: ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 2.7246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 5827-89-4.
What is the molecular formula of ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C22H17IN2O6S.
What is the molecular weight of ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 563.99 g/mol.
Where can I buy ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-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 (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-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.