![ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/5679/5679-67-4.webp)
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5679-67-4) is a chemical compound with molecular formula C28H25BrN2O7S and molecular weight 612.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, A1676/0071504, ETHYL (2Z)-5-(2H-1,3-BENZODIOXOL-5-YL)-2-{[3-BROMO-5-METHOXY-4-(PROP-2-EN-1-YLOXY)PHENYL]METHYLIDENE}-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, Ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({3-bromo-5-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-[4-(allyloxy)-3-bromo-5-methoxybenzylidene]-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C28H25BrN2O7S |
|---|---|
| Molecular Weight | 612.06 g/mol |
| LogP | 3.8629 |
| Topological Polar Surface Area | 97.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 612.0566 |
| Heavy Atoms | 39 |
| Complexity | 1688.7174 |
Chemical Identifiers
| CAS Number | 5679-67-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)/C(=C/C5=CC(=C(C(=C5)Br)OCC=C)OC)/S2)C |
Product Overview
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 5679-67-4), with molecular formula C28H25BrN2O7S and molecular weight 612.06 g/mol. IUPAC: ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 3.8629 indicates that ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-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 97.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 9 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)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 5679-67-4.
What is the molecular formula of ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C28H25BrN2O7S.
What is the molecular weight of ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 612.06 g/mol.
Where can I buy ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)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 (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)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.