尼唑芬酮
TL;DR: 尼唑芬酮 (CAS 54533-85-6) is a chemical compound with molecular formula C21H21ClN4O3 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼唑芬酮
(2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitrophenyl]methanone
Also Known As: Nizofenone, Nizofenona, Nizofenonum, Midafenone, Nizofenone [INN]
| Molecular Formula | C21H21ClN4O3 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.13022 |
| Heavy Atoms | 29 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 54533-85-6 |
|---|---|
| SMILES | CCN(CC)CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl |
| InChIKey | WZGBZLHGOVJDET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尼唑芬酮 (CAS 54533-85-6), with molecular formula C21H21ClN4O3 and molecular weight 412.13 g/mol. IUPAC: (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitrophenyl]methanone.
Chemical Property Profile of 尼唑芬酮
Property Insights of 尼唑芬酮
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 尼唑芬酮. 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
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 412.13 g/mol.
Where can I buy Nizofenone?
You can request a quote for Nizofenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nizofenone?
Yes, KEHONG BIO provides custom synthesis services for Nizofenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.