![methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate structure](/static/products/5932/593274-28-3.webp)
methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
TL;DR: methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate (CAS 593274-28-3) is a chemical compound with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate, (E)-methyl 2-(3-((3-ethyl-2,4-dioxothiazolidin-5-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, methyl 2-[3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate
| Molecular Formula | C20H20N2O4S |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 3.93694 |
| Topological Polar Surface Area | 68.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.11438 |
| Heavy Atoms | 27 |
| Complexity | 974.3565 |
Chemical Identifiers
| CAS Number | 593274-28-3 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=CC=C3C(=O)OC)C)/SC1=O |
Product Overview
methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate (CAS 593274-28-3), with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol. IUPAC: methyl 2-[3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Property Insights of methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
The XLogP value of 3.93694 indicates that methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate 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-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate. Following Lipinski's Rule of Five, methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate 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-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate?
The CAS number of methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate is 593274-28-3.
What is the molecular formula of methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate?
The molecular formula of methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate is C20H20N2O4S.
What is the molecular weight of methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate?
The molecular weight of methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate is 384.11 g/mol.
Where can I buy methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate?
You can request a quote for methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{3-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.