Nizofenone
TL;DR: Nizofenone (CAS 54533-85-6) is a chemical compound with molecular formula C21H21ClN4O3 and molecular weight 412.13022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitrophenyl]methanone
Also Known As: Nizofenone, Nizofenona, Nizofenonum, Midafenone, Nizofenone [INN]
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H21ClN4O3 |
| Molecular Weight | 412.13022 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.13022 Da |
| Heavy Atoms | 29 |
| Complexity | 569.0 |
| SMILES | CCN(CC)CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl |
| InChIKey | WZGBZLHGOVJDET-UHFFFAOYSA-N |
Product Description
Applications: Nizofenone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Nizofenone (CAS 54533-85-6) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.13 g/mol. Synonyms include Nizofenone and Nizofenona.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Nizofenone
Property Insights of Nizofenone
The XLogP value of 4.1 indicates that Nizofenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nizofenone. Following Lipinski's Rule of Five, Nizofenone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nizofenone?
The CAS number of Nizofenone is 54533-85-6.
What is the molecular formula of Nizofenone?
The molecular formula of Nizofenone is C21H21ClN4O3.
What is the molecular weight of Nizofenone?
The molecular weight of Nizofenone is 412.13022 g/mol.
What are the applications of Nizofenone?
Nizofenone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Nizofenone?
You can request a quote for Nizofenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nizofenone?
Yes, CoreyChem provides custom synthesis services for Nizofenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.