![4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid structure](/static/products/4319/431986-57-1.webp)
4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
TL;DR: 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid (CAS 431986-57-1) is a chemical compound with molecular formula C21H14BrNO5S and molecular weight 470.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
Also Known As: 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid, (E)-4-((2-bromo-4-((2,4-dioxo-3-(prop-2-yn-1-yl)thiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid, 4-[[2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C21H14BrNO5S |
|---|---|
| Molecular Weight | 470.98 g/mol |
| LogP | 4.3958 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.9776 |
| Heavy Atoms | 29 |
| Complexity | 1055.7314 |
Chemical Identifiers
| CAS Number | 431986-57-1 |
|---|---|
| SMILES | C#CCN1C(=O)/C(=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)/SC1=O |
Product Overview
4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid (CAS 431986-57-1), with molecular formula C21H14BrNO5S and molecular weight 470.98 g/mol. IUPAC: 4-[[2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Property Insights of 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
The XLogP value of 4.3958 indicates that 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid has 1 hydrogen bond donor(s) and 5 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 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid?
The CAS number of 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid is 431986-57-1.
What is the molecular formula of 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid?
The molecular formula of 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid is C21H14BrNO5S.
What is the molecular weight of 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid?
The molecular weight of 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid is 470.98 g/mol.
Where can I buy 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid?
You can request a quote for 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-bromo-4-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.