![ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/5833/5833-16-9.webp)
ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5833-16-9) is a chemical compound with molecular formula C27H26N2O8S and molecular weight 538.14 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)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2E)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl (2E)-5-(2H-1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxy phenyl)methylene]-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H26N2O8S |
|---|---|
| Molecular Weight | 538.14 g/mol |
| LogP | 2.5528 |
| Topological Polar Surface Area | 106.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.141 |
| Heavy Atoms | 38 |
| Complexity | 1610.3136 |
Chemical Identifiers
| CAS Number | 5833-16-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)/C(=C\C5=CC(=C(C(=C5)OC)OC)OC)/S2)C |
Product Overview
ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5833-16-9), with molecular formula C27H26N2O8S and molecular weight 538.14 g/mol. IUPAC: ethyl (2E)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 2.5528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 106.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 5833-16-9.
What is the molecular formula of ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C27H26N2O8S.
What is the molecular weight of ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 538.14 g/mol.
Where can I buy ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-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 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.