1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one
TL;DR: 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one (CAS 489404-44-6) is a chemical compound with molecular formula C21H20ClNO3 and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-butyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
Also Known As: 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one, (4E)-1-butyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione, 1-butyl-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C21H20ClNO3 |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 4.5618 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.11316 |
| Heavy Atoms | 26 |
| Complexity | 843.3197 |
Chemical Identifiers
| CAS Number | 489404-44-6 |
|---|---|
| SMILES | CCCCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=CC=C3 |
Product Overview
1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one (CAS 489404-44-6), with molecular formula C21H20ClNO3 and molecular weight 369.11 g/mol. IUPAC: (4E)-1-butyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one
Property Insights of 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one
The XLogP value of 4.5618 indicates that 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 3 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-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one?
The CAS number of 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is 489404-44-6.
What is the molecular formula of 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one?
The molecular formula of 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is C21H20ClNO3.
What is the molecular weight of 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one?
The molecular weight of 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is 369.11 g/mol.
Where can I buy 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one?
You can request a quote for 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-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-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-4-(4-chlorobenzoyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.