![4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid structure](/static/products/6906/690695-22-8.webp)
4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
TL;DR: 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid (CAS 690695-22-8) is a chemical compound with molecular formula C22H19NO8S and molecular weight 457.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-methoxy-4-[(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Also Known As: 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid, (E)-4-((2-methoxy-4-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid, 4-[[2-methoxy-4-[(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C22H19NO8S |
|---|---|
| Molecular Weight | 457.08 g/mol |
| LogP | 3.1817 |
| Topological Polar Surface Area | 119.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.08313 |
| Heavy Atoms | 32 |
| Complexity | 1093.6097 |
Chemical Identifiers
| CAS Number | 690695-22-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC(=O)OC)OCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid (CAS 690695-22-8), with molecular formula C22H19NO8S and molecular weight 457.08 g/mol. IUPAC: 4-[[2-methoxy-4-[(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Property Insights of 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
The XLogP value of 3.1817 indicates that 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-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 119.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid has 1 hydrogen bond donor(s) and 8 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-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid?
The CAS number of 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid is 690695-22-8.
What is the molecular formula of 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid?
The molecular formula of 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid is C22H19NO8S.
What is the molecular weight of 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid?
The molecular weight of 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid is 457.08 g/mol.
Where can I buy 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid?
You can request a quote for 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-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-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-methoxy-4-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.