4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 309736-69-4) is a chemical compound with molecular formula C17H11BrN2O5 and molecular weight 401.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: AB00103375-01, 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C17H11BrN2O5 |
|---|---|
| Molecular Weight | 401.99 g/mol |
| LogP | 3.0666 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.98514 |
| Heavy Atoms | 25 |
| Complexity | 920.8904 |
Chemical Identifiers
| CAS Number | 309736-69-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2 |
Product Overview
4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 309736-69-4), with molecular formula C17H11BrN2O5 and molecular weight 401.99 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.0666 indicates that 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one has 2 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-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is 309736-69-4.
What is the molecular formula of 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is C17H11BrN2O5.
What is the molecular weight of 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is 401.99 g/mol.
Where can I buy 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-bromobenzoyl)-3-hydroxy-5-(3-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-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromobenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.