1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one (CAS 371126-63-5) is a chemical compound with molecular formula C23H24N2O7 and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-butyl-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one, (4E)-1-butyl-5-(3,4-dimethoxyphenyl)-4-[hydroxy(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione, (4E)-1-butyl-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione, 1-butyl-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione
| Molecular Formula | C23H24N2O7 |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 3.8338 |
| Topological Polar Surface Area | 119.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.15836 |
| Heavy Atoms | 32 |
| Complexity | 1076.2526 |
Chemical Identifiers
| CAS Number | 371126-63-5 |
|---|---|
| SMILES | CCCCN1C(/C(=C(/C2=CC=C(C=C2)[N+](=O)[O-])\O)/C(=O)C1=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one (CAS 371126-63-5), with molecular formula C23H24N2O7 and molecular weight 440.16 g/mol. IUPAC: (4E)-1-butyl-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.8338 indicates that 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one is 371126-63-5.
What is the molecular formula of 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one is C23H24N2O7.
What is the molecular weight of 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one is 440.16 g/mol.
Where can I buy 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-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-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-nitrobenzoyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.