5-Nitrofurfural
TL;DR: 5-Nitrofurfural (CAS 698-63-5) is a chemical compound with molecular formula C5H3NO4 and molecular weight 141.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitrofuran-2-carbaldehyde
Also Known As: 5-Nitrofurfural, 5-NITRO-2-FURALDEHYDE, 5-nitrofuran-2-carbaldehyde, Nitrofurfural, 5-Nitrofurfuraldehyde
| Molecular Formula | C5H3NO4 |
|---|---|
| Molecular Weight | 141.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.00621 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
| Melting Point | 35-36 °C |
| Boiling Point | 128-132 °C @ 10 MM HG |
| Solubility | SLIGHTLY SOL IN WATER, SOL IN PETROLEUM ETHER |
Chemical Identifiers
| CAS Number | 698-63-5 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=O |
| InChIKey | SXINBFXPADXIEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitrofurfural (CAS 698-63-5), with molecular formula C5H3NO4 and molecular weight 141.01 g/mol. IUPAC: 5-nitrofuran-2-carbaldehyde.
Chemical Property Profile of 5-Nitrofurfural
Property Insights of 5-Nitrofurfural
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrofurfural. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrofurfural. Following Lipinski's Rule of Five, 5-Nitrofurfural 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 5-Nitrofurfural?
The CAS number of 5-Nitrofurfural is 698-63-5.
What is the molecular formula of 5-Nitrofurfural?
The molecular formula of 5-Nitrofurfural is C5H3NO4.
What is the molecular weight of 5-Nitrofurfural?
The molecular weight of 5-Nitrofurfural is 141.01 g/mol.
Where can I buy 5-Nitrofurfural?
You can request a quote for 5-Nitrofurfural directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrofurfural?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrofurfural and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.