3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one
TL;DR: 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one (CAS 488733-76-2) is a chemical compound with molecular formula C26H22N2O5 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-nitrophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Also Known As: 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy(4-methylphenyl)methylidene]-5-(4-nitrophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione, (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-nitrophenyl)-1-phenethylpyrrolidine-2,3-dione, 4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-nitrophenyl)-1-phenethyl-pyrrolidine-2,3-dione
| Molecular Formula | C26H22N2O5 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 4.56762 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.15286 |
| Heavy Atoms | 33 |
| Complexity | 1231.9386 |
Chemical Identifiers
| CAS Number | 488733-76-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])/O |
Product Overview
3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one (CAS 488733-76-2), with molecular formula C26H22N2O5 and molecular weight 442.15 g/mol. IUPAC: (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-nitrophenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one
Property Insights of 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one
The XLogP value of 4.56762 indicates that 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-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 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-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 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one?
The CAS number of 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one is 488733-76-2.
What is the molecular formula of 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one?
The molecular formula of 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one is C26H22N2O5.
What is the molecular weight of 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one?
The molecular weight of 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one is 442.15 g/mol.
Where can I buy 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one?
You can request a quote for 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-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 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-1-phenethyl-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.