1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 332170-75-9) is a chemical compound with molecular formula C20H16N2O5 and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)-1-prop-2-enylpyrrolidine-2,3-dione
Also Known As: 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)-1-prop-2-enylpyrrolidine-2,3-dione, (4E)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)-1-(prop-2-en-1-yl)pyrrolidine-2,3-dione
| Molecular Formula | C20H16N2O5 |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 3.2025 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.10593 |
| Heavy Atoms | 27 |
| Complexity | 965.34717 |
Chemical Identifiers
| CAS Number | 332170-75-9 |
|---|---|
| SMILES | C=CCN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 332170-75-9), with molecular formula C20H16N2O5 and molecular weight 364.11 g/mol. IUPAC: (4E)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)-1-prop-2-enylpyrrolidine-2,3-dione.
Chemical Property Profile of 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.2025 indicates that 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-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 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-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 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is 332170-75-9.
What is the molecular formula of 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is C20H16N2O5.
What is the molecular weight of 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is 364.11 g/mol.
Where can I buy 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-4-benzoyl-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.