1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
TL;DR: 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 425623-99-0) is a chemical compound with molecular formula C22H21BrN2O3 and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(dimethylamino)phenyl]-1-prop-2-enylpyrrolidine-2,3-dione
Also Known As: 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one, (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-5-[4-(dimethylamino)phenyl]-1-(prop-2-en-1-yl)pyrrolidine-2,3-dione, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-dimethylaminophenyl)-1-prop-2-enylpyrrolidine-2,3-dione, 1-allyl-4-(4-bromobenzoyl)-5-[4-(dimethylamino)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H21BrN2O3 |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 4.1228 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.07355 |
| Heavy Atoms | 28 |
| Complexity | 946.7521 |
Chemical Identifiers
| CAS Number | 425623-99-0 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CC=C |
Product Overview
1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 425623-99-0), with molecular formula C22H21BrN2O3 and molecular weight 440.07 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-[4-(dimethylamino)phenyl]-1-prop-2-enylpyrrolidine-2,3-dione.
Chemical Property Profile of 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
Property Insights of 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
The XLogP value of 4.1228 indicates that 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 4 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-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The CAS number of 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 425623-99-0.
What is the molecular formula of 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular formula of 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is C22H21BrN2O3.
What is the molecular weight of 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular weight of 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 440.07 g/mol.
Where can I buy 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
You can request a quote for 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-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-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-4-(4-bromobenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.