1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one (CAS 425419-55-2) is a chemical compound with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-benzyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one, 1-benzyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione, (4E)-1-benzyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione, 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-[(4-nitrophenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C25H20N2O6 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 4.2253 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.13214 |
| Heavy Atoms | 33 |
| Complexity | 1234.1534 |
Chemical Identifiers
| CAS Number | 425419-55-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)[N+](=O)[O-])\O)/C(=O)C(=O)N2CC4=CC=CC=C4 |
Product Overview
1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one (CAS 425419-55-2), with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol. IUPAC: (4E)-1-benzyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.2253 indicates that 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one has 1 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 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one is 425419-55-2.
What is the molecular formula of 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one is C25H20N2O6.
What is the molecular weight of 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one is 444.13 g/mol.
Where can I buy 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-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-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.