![(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid structure](/static/products/4319/431979-92-9.webp)
(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid
TL;DR: (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid (CAS 431979-92-9) is a chemical compound with molecular formula C17H14BrNO6S and molecular weight 438.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenoxy]acetic acid
Also Known As: (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid, (E)-2-(2-bromo-4-((2,4-dioxo-3-(prop-2-yn-1-yl)thiazolidin-5-ylidene)methyl)-6-ethoxyphenoxy)acetic acid, 2-[2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenoxy]acetic acid
| Molecular Formula | C17H14BrNO6S |
|---|---|
| Molecular Weight | 438.97 g/mol |
| LogP | 2.9807 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.97253 |
| Heavy Atoms | 26 |
| Complexity | 829.2774 |
Chemical Identifiers
| CAS Number | 431979-92-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC#C)Br)OCC(=O)O |
Product Overview
(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid (CAS 431979-92-9), with molecular formula C17H14BrNO6S and molecular weight 438.97 g/mol. IUPAC: 2-[2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenoxy]acetic acid.
Chemical Property Profile of (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid
Property Insights of (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid
The XLogP value of 2.9807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid. Following Lipinski's Rule of Five, (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid has 1 hydrogen bond donor(s) and 6 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 (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid?
The CAS number of (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid is 431979-92-9.
What is the molecular formula of (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid?
The molecular formula of (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid is C17H14BrNO6S.
What is the molecular weight of (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid?
The molecular weight of (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid is 438.97 g/mol.
Where can I buy (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid?
You can request a quote for (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.