4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 615271-24-4) is a chemical compound with molecular formula C24H25N3O6 and molecular weight 451.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione, 1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-4-{[4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one, 4-[4-(ALLYLOXY)BENZOYL]-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-(4-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C24H25N3O6 |
|---|---|
| Molecular Weight | 451.17 g/mol |
| LogP | 3.1429 |
| Topological Polar Surface Area | 113.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.17435 |
| Heavy Atoms | 33 |
| Complexity | 1090.1876 |
Chemical Identifiers
| CAS Number | 615271-24-4 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC=C(C=C2)OCC=C)\O)/C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 615271-24-4), with molecular formula C24H25N3O6 and molecular weight 451.17 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.1429 indicates that 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-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 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is 615271-24-4.
What is the molecular formula of 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is C24H25N3O6.
What is the molecular weight of 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is 451.17 g/mol.
Where can I buy 4-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-(allyloxy)benzoyl)-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-(4-(allyloxy)benzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(allyloxy)benzoyl)-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.