![ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate structure](/static/products/4320/432012-91-4.webp)
ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate
TL;DR: ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate (CAS 432012-91-4) is a chemical compound with molecular formula C19H18BrNO6S and molecular weight 467.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenoxy]acetate
Also Known As: ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate, (E)-ethyl 2-(2-bromo-4-((2,4-dioxo-3-(prop-2-yn-1-yl)thiazolidin-5-ylidene)methyl)-6-ethoxyphenoxy)acetate, ethyl 2-[2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenoxy]acetate
| Molecular Formula | C19H18BrNO6S |
|---|---|
| Molecular Weight | 467.00 g/mol |
| LogP | 3.4592 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.0038 |
| Heavy Atoms | 28 |
| Complexity | 860.7152 |
Chemical Identifiers
| CAS Number | 432012-91-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC#C)Br)OCC(=O)OCC |
Product Overview
ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate (CAS 432012-91-4), with molecular formula C19H18BrNO6S and molecular weight 467.00 g/mol. IUPAC: ethyl 2-[2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenoxy]acetate.
Chemical Property Profile of ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate
Property Insights of ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate
The XLogP value of 3.4592 indicates that ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate. Following Lipinski's Rule of Five, ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate?
The CAS number of ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate is 432012-91-4.
What is the molecular formula of ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate?
The molecular formula of ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate is C19H18BrNO6S.
What is the molecular weight of ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate?
The molecular weight of ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate is 467.00 g/mol.
Where can I buy ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate?
You can request a quote for ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.