![ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/5682/5682-44-0.webp)
ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5682-44-0) is a chemical compound with molecular formula C26H25IN2O5S and molecular weight 604.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-(3-iodo-4,5-dimethoxybenzylidene)-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H25IN2O5S |
|---|---|
| Molecular Weight | 604.05 g/mol |
| LogP | 3.72852 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 604.0529 |
| Heavy Atoms | 35 |
| Complexity | 1502.1599 |
Chemical Identifiers
| CAS Number | 5682-44-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)/C(=C/C4=CC(=C(C(=C4)I)OC)OC)/S2)C |
Product Overview
ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5682-44-0), with molecular formula C26H25IN2O5S and molecular weight 604.05 g/mol. IUPAC: ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 3.72852 indicates that ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-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 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 7 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-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 5682-44-0.
What is the molecular formula of ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C26H25IN2O5S.
What is the molecular weight of ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 604.05 g/mol.
Where can I buy ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-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-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-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.