![methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate structure](/static/products/6429/642996-21-2.webp)
methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
TL;DR: methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 642996-21-2) is a chemical compound with molecular formula C26H23FN2O5S and molecular weight 494.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate, (E)-methyl 2-(5-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C26H23FN2O5S |
|---|---|
| Molecular Weight | 494.13 g/mol |
| LogP | 5.02154 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.13116 |
| Heavy Atoms | 35 |
| Complexity | 1330.0101 |
Chemical Identifiers
| CAS Number | 642996-21-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C)/C=C/4\C(=O)N(C(=O)S4)CC(=O)OC |
Product Overview
methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate (CAS 642996-21-2), with molecular formula C26H23FN2O5S and molecular weight 494.13 g/mol. IUPAC: methyl 2-[(5E)-5-[[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Property Insights of methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
The XLogP value of 5.02154 indicates that methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate. Following Lipinski's Rule of Five, methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The CAS number of methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 642996-21-2.
What is the molecular formula of methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular formula of methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is C26H23FN2O5S.
What is the molecular weight of methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
The molecular weight of methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate is 494.13 g/mol.
Where can I buy methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
You can request a quote for methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.