![methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate structure](/static/products/6770/677017-71-9.webp)
methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
TL;DR: methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 677017-71-9) is a chemical compound with molecular formula C17H13N3O6S and molecular weight 387.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-((1-(4-nitrophenyl)-1H-pyrrol-2-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C17H13N3O6S |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 2.5948 |
| Topological Polar Surface Area | 111.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.05252 |
| Heavy Atoms | 27 |
| Complexity | 963.3033 |
Chemical Identifiers
| CAS Number | 677017-71-9 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])/SC1=O |
Product Overview
methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 677017-71-9), with molecular formula C17H13N3O6S and molecular weight 387.05 g/mol. IUPAC: methyl 2-[(5E)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Property Insights of methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
The XLogP value of 2.5948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. The TPSA of 111.75 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. Following Lipinski's Rule of Five, methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate has 0 hydrogen bond donor(s) and 7 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 methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The CAS number of methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 677017-71-9.
What is the molecular formula of methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular formula of methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is C17H13N3O6S.
What is the molecular weight of methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The molecular weight of methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 387.05 g/mol.
Where can I buy methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
You can request a quote for methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-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-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(5E)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-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.