1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
TL;DR: 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 425613-88-3) is a chemical compound with molecular formula C23H24ClNO5 and molecular weight 429.13 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-(2,4-dimethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one, (4E)-1-butyl-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(2,4-dimethoxyphenyl)pyrrolidine-2,3-dione, (4E)-1-butyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dimethoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C23H24ClNO5 |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 4.579 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.1343 |
| Heavy Atoms | 30 |
| Complexity | 983.588 |
Chemical Identifiers
| CAS Number | 425613-88-3 |
|---|---|
| SMILES | CCCCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=C(C=C(C=C3)OC)OC |
Product Overview
1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 425613-88-3), with molecular formula C23H24ClNO5 and molecular weight 429.13 g/mol. IUPAC: (4E)-1-butyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dimethoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
Property Insights of 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
The XLogP value of 4.579 indicates that 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-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 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The CAS number of 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 425613-88-3.
What is the molecular formula of 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular formula of 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is C23H24ClNO5.
What is the molecular weight of 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular weight of 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 429.13 g/mol.
Where can I buy 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
You can request a quote for 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-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)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.