![ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate structure](/static/products/4256/425627-96-9.webp)
ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate
TL;DR: ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate (CAS 425627-96-9) is a chemical compound with molecular formula C21H18FNO5 and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate
Also Known As: ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate, ethyl 4-(3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
| Molecular Formula | C21H18FNO5 |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 3.4914 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.1169 |
| Heavy Atoms | 28 |
| Complexity | 980.5454 |
Chemical Identifiers
| CAS Number | 425627-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=CC=C3F |
Product Overview
ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate (CAS 425627-96-9), with molecular formula C21H18FNO5 and molecular weight 383.12 g/mol. IUPAC: ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate.
Chemical Property Profile of ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate
Property Insights of ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate
The XLogP value of 3.4914 indicates that ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate has 1 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 ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate?
The CAS number of ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate is 425627-96-9.
What is the molecular formula of ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate?
The molecular formula of ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate is C21H18FNO5.
What is the molecular weight of ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate?
The molecular weight of ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate is 383.12 g/mol.
Where can I buy ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate?
You can request a quote for ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-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 ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.