![2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid structure](/static/products/5789/5789-11-7.webp)
2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
TL;DR: 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid (CAS 5789-11-7) is a chemical compound with molecular formula C14H12N2O7 and molecular weight 320.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
Also Known As: BAS 00805043, 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid, [3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetic acid, 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-3-pyrrolinyl]acetic acid, Cambridge id 5789117
| Molecular Formula | C14H12N2O7 |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | 0.9638 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.06445 |
| Heavy Atoms | 23 |
| Complexity | 735.9976 |
Chemical Identifiers
| CAS Number | 5789-11-7 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O)O |
Product Overview
2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid (CAS 5789-11-7), with molecular formula C14H12N2O7 and molecular weight 320.06 g/mol. IUPAC: 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid.
Chemical Property Profile of 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
Property Insights of 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
The XLogP value of 0.9638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid. Following Lipinski's Rule of Five, 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid 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 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid?
The CAS number of 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid is 5789-11-7.
What is the molecular formula of 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid?
The molecular formula of 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid is C14H12N2O7.
What is the molecular weight of 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid?
The molecular weight of 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid is 320.06 g/mol.
Where can I buy 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid?
You can request a quote for 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.