Difunone
TL;DR: Difunone (CAS 7703-36-8) is a chemical compound with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile
Also Known As: Difunone, Emd-IT 5914, 5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile, 5-Dimethylaminomethylene-2-oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile, 3-Furancarbonitrile, 5-[(dimethylamino)methylene]-2,5-dihydro-2-oxo-4-phenyl-
| Molecular Formula | C14H12N2O2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.08987 |
| Heavy Atoms | 18 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 7703-36-8 |
|---|---|
| SMILES | CN(C)C=C1C(=C(C(=O)O1)C#N)C2=CC=CC=C2 |
| InChIKey | GWZYSXKZOOVIDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Difunone (CAS 7703-36-8), with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol. IUPAC: 5-(dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile.
Chemical Property Profile of Difunone
Property Insights of Difunone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difunone. With a topological polar surface area (TPSA) of 53.3 Ų, Difunone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difunone 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 Difunone?
The CAS number of Difunone is 7703-36-8.
What is the molecular formula of Difunone?
The molecular formula of Difunone is C14H12N2O2.
What is the molecular weight of Difunone?
The molecular weight of Difunone is 240.09 g/mol.
Where can I buy Difunone?
You can request a quote for Difunone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difunone?
Yes, KEHONG BIO provides custom synthesis services for Difunone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.