![4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione structure](/static/products/5487/5487-46-7.webp)
4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
TL;DR: 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione (CAS 5487-46-7) is a chemical compound with molecular formula C17H12BrN3O5 and molecular weight 417.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Also Known As: 4-[(3-bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione, 4-[(3-bromo-4-methoxy-5-nitro-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione, 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, compd. with hydrochloric acid (1:6), Hydrochloric acid, compd. with 2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene (6:1)
| Molecular Formula | C17H12BrN3O5 |
|---|---|
| Molecular Weight | 417.00 g/mol |
| LogP | 2.8273 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.99603 |
| Heavy Atoms | 26 |
| Complexity | 942.91455 |
Chemical Identifiers
| CAS Number | 5487-46-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione (CAS 5487-46-7), with molecular formula C17H12BrN3O5 and molecular weight 417.00 g/mol. IUPAC: 4-[(3-bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione.
Chemical Property Profile of 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Property Insights of 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
The XLogP value of 2.8273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione. Following Lipinski's Rule of Five, 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione 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-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The CAS number of 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is 5487-46-7.
What is the molecular formula of 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The molecular formula of 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is C17H12BrN3O5.
What is the molecular weight of 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The molecular weight of 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is 417.00 g/mol.
Where can I buy 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
You can request a quote for 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.