3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
TL;DR: 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one (CAS 440096-63-9) is a chemical compound with molecular formula C13H12N2O6 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
Also Known As: 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one, (4Z)-4-(1-hydroxyethylidene)-1-(hydroxymethyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione, 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, 4-ACETYL-3-HYDROXY-1-(HYDROXYMETHYL)-5-(3-NITROPHENYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE
| Molecular Formula | C13H12N2O6 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 0.829 |
| Topological Polar Surface Area | 120.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.06955 |
| Heavy Atoms | 21 |
| Complexity | 666.38025 |
Chemical Identifiers
| CAS Number | 440096-63-9 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])CO)O |
Product Overview
3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one (CAS 440096-63-9), with molecular formula C13H12N2O6 and molecular weight 292.07 g/mol. IUPAC: 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one.
Chemical Property Profile of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
Property Insights of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
The XLogP value of 0.829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one. The TPSA of 120.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one. Following Lipinski's Rule of Five, 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one has 2 hydrogen bond donor(s) and 6 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-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one?
The CAS number of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one is 440096-63-9.
What is the molecular formula of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one?
The molecular formula of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one is C13H12N2O6.
What is the molecular weight of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one?
The molecular weight of 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one is 292.07 g/mol.
Where can I buy 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one?
You can request a quote for 3-acetyl-4-hydroxy-1-(hydroxymethyl)-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-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.