1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 332170-19-1) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: BAS 01247851, 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, 1-butyl-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C22H22N2O6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 3.8252 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.1478 |
| Heavy Atoms | 30 |
| Complexity | 1012.5428 |
Chemical Identifiers
| CAS Number | 332170-19-1 |
|---|---|
| SMILES | CCCCN1C(C(=C(C2=CC=C(C=C2)OC)O)C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 332170-19-1), with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol. IUPAC: 1-butyl-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.8252 indicates that 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-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-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-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-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is 332170-19-1.
What is the molecular formula of 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is C22H22N2O6.
What is the molecular weight of 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is 410.15 g/mol.
Where can I buy 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-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-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-3-hydroxy-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.