5-Cyano-2-furaldehyde
TL;DR: 5-Cyano-2-furaldehyde (CAS 42061-89-2) is a chemical compound with molecular formula C6H3NO2 and molecular weight 121.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-formylfuran-2-carbonitrile
Also Known As: 5-formylfuran-2-carbonitrile, 5-Cyano-2-furaldehyde, 5-cyanofurfural, 5-formyl-2-furonitrile, (S)-(-)-Ipsenol
| Molecular Formula | C6H3NO2 |
|---|---|
| Molecular Weight | 121.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.01638 |
| Heavy Atoms | 9 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 42061-89-2 |
|---|---|
| SMILES | C1=C(OC(=C1)C#N)C=O |
| InChIKey | PUQKOVRPNHYQIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Cyano-2-furaldehyde (CAS 42061-89-2), with molecular formula C6H3NO2 and molecular weight 121.02 g/mol. IUPAC: 5-formylfuran-2-carbonitrile.
Chemical Property Profile of 5-Cyano-2-furaldehyde
Property Insights of 5-Cyano-2-furaldehyde
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyano-2-furaldehyde. With a topological polar surface area (TPSA) of 54.0 Ų, 5-Cyano-2-furaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Cyano-2-furaldehyde has 0 hydrogen bond donor(s) and 3 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 5-Cyano-2-furaldehyde?
The CAS number of 5-Cyano-2-furaldehyde is 42061-89-2.
What is the molecular formula of 5-Cyano-2-furaldehyde?
The molecular formula of 5-Cyano-2-furaldehyde is C6H3NO2.
What is the molecular weight of 5-Cyano-2-furaldehyde?
The molecular weight of 5-Cyano-2-furaldehyde is 121.02 g/mol.
Where can I buy 5-Cyano-2-furaldehyde?
You can request a quote for 5-Cyano-2-furaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-2-furaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-2-furaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.