![methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate structure](/static/products/692/692265-26-2.png)
methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
TL;DR: methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate (CAS 692265-26-2) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Also Known As: methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate, (E)-methyl 2-(5-((1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)propanoate, methyl 2-[(5E)-5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.75104 |
| Topological Polar Surface Area | 68.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 962.2852 |
Chemical Identifiers
| CAS Number | 692265-26-2 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C/3\C(=O)N(C(=O)S3)C(C)C(=O)OC |
Product Overview
methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate (CAS 692265-26-2), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: methyl 2-[(5E)-5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
Property Insights of methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
The XLogP value of 3.75104 indicates that methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate. Following Lipinski's Rule of Five, methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate has 0 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 methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The CAS number of methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is 692265-26-2.
What is the molecular formula of methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The molecular formula of methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is C21H22N2O4S.
What is the molecular weight of methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
The molecular weight of methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate is 398.13 g/mol.
Where can I buy methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
You can request a quote for methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{(5E)-5-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.