![4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid structure](/static/products/6922/692282-46-5.webp)
4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid
TL;DR: 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid (CAS 692282-46-5) is a chemical compound with molecular formula C21H18BrNO6S and molecular weight 491.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
Also Known As: 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid, (E)-4-((2-bromo-4-((3-ethyl-2,4-dioxothiazolidin-5-ylidene)methyl)-6-methoxyphenoxy)methyl)benzoic acid, 4-[[2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
| Molecular Formula | C21H18BrNO6S |
|---|---|
| Molecular Weight | 491.00 g/mol |
| LogP | 4.7911 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.0038 |
| Heavy Atoms | 30 |
| Complexity | 1034.5372 |
Chemical Identifiers
| CAS Number | 692282-46-5 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)C(=O)O)OC)/SC1=O |
Product Overview
4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid (CAS 692282-46-5), with molecular formula C21H18BrNO6S and molecular weight 491.00 g/mol. IUPAC: 4-[[2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid
Property Insights of 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid
The XLogP value of 4.7911 indicates that 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid. Following Lipinski's Rule of Five, 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic 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 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid?
The CAS number of 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid is 692282-46-5.
What is the molecular formula of 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid?
The molecular formula of 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid is C21H18BrNO6S.
What is the molecular weight of 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid?
The molecular weight of 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid is 491.00 g/mol.
Where can I buy 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid?
You can request a quote for 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}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)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({2-bromo-4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.