3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one
TL;DR: 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one (CAS 333777-52-9) is a chemical compound with molecular formula C18H13FN2O5 and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one
Also Known As: BAS 01029285, 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one, 4-acetyl-1-(4-fluorophenyl)-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, A2519/0107072, 4-acetyl-1-(4-fluorophenyl)-3-hydroxy-5-{3-nitrophenyl}-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C18H13FN2O5 |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 3.2229 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.08084 |
| Heavy Atoms | 26 |
| Complexity | 952.3087 |
Chemical Identifiers
| CAS Number | 333777-52-9 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F)O |
Product Overview
3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one (CAS 333777-52-9), with molecular formula C18H13FN2O5 and molecular weight 356.08 g/mol. IUPAC: 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one.
Chemical Property Profile of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one
Property Insights of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one
The XLogP value of 3.2229 indicates that 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one. Following Lipinski's Rule of Five, 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one 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 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one?
The CAS number of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one is 333777-52-9.
What is the molecular formula of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one?
The molecular formula of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one is C18H13FN2O5.
What is the molecular weight of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one?
The molecular weight of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one is 356.08 g/mol.
Where can I buy 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one?
You can request a quote for 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.