![ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate structure](/static/products/6176/617698-24-5.webp)
ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
TL;DR: ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (CAS 617698-24-5) is a chemical compound with molecular formula C25H20F2N2O5S and molecular weight 498.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H20F2N2O5S |
|---|---|
| Molecular Weight | 498.11 g/mol |
| LogP | 4.84114 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.1061 |
| Heavy Atoms | 35 |
| Complexity | 1398.2441 |
Chemical Identifiers
| CAS Number | 617698-24-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC(=C(C=C3)C)F)O)C(=O)C2=O)C4=CC(=CC=C4)F)C |
Product Overview
ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (CAS 617698-24-5), with molecular formula C25H20F2N2O5S and molecular weight 498.11 g/mol. IUPAC: ethyl 2-[3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Property Insights of ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
The XLogP value of 4.84114 indicates that ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate has 1 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 ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is 617698-24-5.
What is the molecular formula of ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is C25H20F2N2O5S.
What is the molecular weight of ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is 498.11 g/mol.
Where can I buy ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.