4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 618080-83-4) is a chemical compound with molecular formula C23H25N3O7 and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C23H25N3O7 |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 2.5953 |
| Topological Polar Surface Area | 122.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.16925 |
| Heavy Atoms | 33 |
| Complexity | 1109.5382 |
Chemical Identifiers
| CAS Number | 618080-83-4 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC)OC)\O)/C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 618080-83-4), with molecular formula C23H25N3O7 and molecular weight 455.17 g/mol. IUPAC: (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 2.5953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one. The TPSA of 122.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 8 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 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is 618080-83-4.
What is the molecular formula of 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is C23H25N3O7.
What is the molecular weight of 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is 455.17 g/mol.
Where can I buy 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-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 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.