3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
TL;DR: 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one (CAS 425614-74-0) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
Also Known As: 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one, 4-acetyl-1-butyl-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, 4-acetyl-1-butyl-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.6793 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 678.21594 |
Chemical Identifiers
| CAS Number | 425614-74-0 |
|---|---|
| SMILES | CCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one (CAS 425614-74-0), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one.
Chemical Property Profile of 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
Property Insights of 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
The XLogP value of 2.6793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one. Following Lipinski's Rule of Five, 3-acetyl-1-butyl-4-hydroxy-2-(4-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-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The CAS number of 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one is 425614-74-0.
What is the molecular formula of 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The molecular formula of 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one is C16H18N2O5.
What is the molecular weight of 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one?
The molecular weight of 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one is 318.12 g/mol.
Where can I buy 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one?
You can request a quote for 3-acetyl-1-butyl-4-hydroxy-2-(4-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-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-1-butyl-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.