4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 332149-11-8) is a chemical compound with molecular formula C18H13BrN2O5 and molecular weight 416.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-methyl-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: BAS 00732824, AB00097019-01, 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-methyl-5-(4-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C18H13BrN2O5 |
|---|---|
| Molecular Weight | 416.00 g/mol |
| LogP | 3.4088 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.0008 |
| Heavy Atoms | 26 |
| Complexity | 935.0587 |
Chemical Identifiers
| CAS Number | 332149-11-8 |
|---|---|
| SMILES | CN1C(/C(=C(/C2=CC=C(C=C2)Br)\O)/C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 332149-11-8), with molecular formula C18H13BrN2O5 and molecular weight 416.00 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-methyl-5-(4-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.4088 indicates that 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 5 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-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is 332149-11-8.
What is the molecular formula of 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is C18H13BrN2O5.
What is the molecular weight of 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is 416.00 g/mol.
Where can I buy 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-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-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromobenzoyl)-3-hydroxy-1-methyl-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.