1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one (CAS 497077-60-8) is a chemical compound with molecular formula C22H22ClNO3 and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-butyl-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one, (4E)-1-butyl-5-(4-chlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione, (4E)-1-butyl-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
| Molecular Formula | C22H22ClNO3 |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 4.87022 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.1288 |
| Heavy Atoms | 27 |
| Complexity | 884.7788 |
Chemical Identifiers
| CAS Number | 497077-60-8 |
|---|---|
| SMILES | CCCCN1C(/C(=C(/C2=CC=C(C=C2)C)\O)/C(=O)C1=O)C3=CC=C(C=C3)Cl |
Product Overview
1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one (CAS 497077-60-8), with molecular formula C22H22ClNO3 and molecular weight 383.13 g/mol. IUPAC: (4E)-1-butyl-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.87022 indicates that 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-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-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-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-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one is 497077-60-8.
What is the molecular formula of 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one is C22H22ClNO3.
What is the molecular weight of 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one is 383.13 g/mol.
Where can I buy 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-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-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-5-(4-chlorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.