Nifurmerone
TL;DR: Nifurmerone (CAS 5579-95-3) is a chemical compound with molecular formula C6H4ClNO4 and molecular weight 188.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(5-nitrofuran-2-yl)ethanone
Also Known As: NIFURMERONE, Metofurone, Nifurmerona, Nifurmeronum, 2-Cyclopentylphenol
| Molecular Formula | C6H4ClNO4 |
|---|---|
| Molecular Weight | 188.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.98288 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 5579-95-3 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C(=O)CCl |
| InChIKey | DQJAAEADFORVGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nifurmerone (CAS 5579-95-3), with molecular formula C6H4ClNO4 and molecular weight 188.98 g/mol. IUPAC: 2-chloro-1-(5-nitrofuran-2-yl)ethanone.
Chemical Property Profile of Nifurmerone
Property Insights of Nifurmerone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nifurmerone. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nifurmerone. Following Lipinski's Rule of Five, Nifurmerone has 0 hydrogen bond donor(s) and 4 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 Nifurmerone?
The CAS number of Nifurmerone is 5579-95-3.
What is the molecular formula of Nifurmerone?
The molecular formula of Nifurmerone is C6H4ClNO4.
What is the molecular weight of Nifurmerone?
The molecular weight of Nifurmerone is 188.98 g/mol.
Where can I buy Nifurmerone?
You can request a quote for Nifurmerone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nifurmerone?
Yes, KEHONG BIO provides custom synthesis services for Nifurmerone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.