![ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate structure](/static/products/620/620563-13-5.png)
ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 620563-13-5) is a chemical compound with molecular formula C31H30N2O9S and molecular weight 606.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(3-ethoxy-4-prop-2-enoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(3-ethoxy-4-prop-2-enoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C31H30N2O9S |
|---|---|
| Molecular Weight | 606.17 g/mol |
| LogP | 4.98922 |
| Topological Polar Surface Area | 133.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 606.1672 |
| Heavy Atoms | 43 |
| Complexity | 1627.0905 |
Chemical Identifiers
| CAS Number | 620563-13-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C)OCC=C |
Product Overview
ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 620563-13-5), with molecular formula C31H30N2O9S and molecular weight 606.17 g/mol. IUPAC: ethyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(3-ethoxy-4-prop-2-enoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.98922 indicates that ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 620563-13-5.
What is the molecular formula of ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C31H30N2O9S.
What is the molecular weight of ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 606.17 g/mol.
Where can I buy ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-(4-(allyloxy)-3-ethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.