4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one
TL;DR: 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one (CAS 488747-86-0) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
Also Known As: 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one, 2-[3-(hydroxy-phenyl-methylidene)-2-(4-methylphenyl)-4,5-dioxo-pyrrolidin-1-yl]acetic Acid, [(3E)-3-[hydroxy(phenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid, 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
| Molecular Formula | C20H17NO5 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 2.50132 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.1107 |
| Heavy Atoms | 26 |
| Complexity | 899.5586 |
Chemical Identifiers
| CAS Number | 488747-86-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2CC(=O)O |
Product Overview
4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one (CAS 488747-86-0), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: 2-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid.
Chemical Property Profile of 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one
Property Insights of 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one
The XLogP value of 2.50132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one. Following Lipinski's Rule of Five, 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one has 2 hydrogen bond donor(s) and 4 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 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one?
The CAS number of 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one is 488747-86-0.
What is the molecular formula of 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one?
The molecular formula of 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one is C20H17NO5.
What is the molecular weight of 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one?
The molecular weight of 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one is 351.11 g/mol.
Where can I buy 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one?
You can request a quote for 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-benzoyl-1-carboxymethyl-3-hydroxy-5-(4-methylphenyl)-3-pyrrolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.