4-Nitrofurfural
TL;DR: 4-Nitrofurfural (CAS 59282-34-7) 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.
4-nitrofuran-2-carbaldehyde
Also Known As: 4-Nitrofurfural, 4-nitrofuran-2-carbaldehyde, 2-Furancarboxaldehyde, 4-nitro-, Nifuratel Impurity 13, 4-Nitro-2-furancarboxaldehyde
| Molecular Formula | C5H3NO4 |
|---|---|
| Molecular Weight | 141.01 g/mol |
| LogP | 0.6 |
| 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 |
Chemical Identifiers
| CAS Number | 59282-34-7 |
|---|---|
| SMILES | C1=C(OC=C1[N+](=O)[O-])C=O |
| InChIKey | LRRBMMMGCYHUNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrofurfural (CAS 59282-34-7), with molecular formula C5H3NO4 and molecular weight 141.01 g/mol. IUPAC: 4-nitrofuran-2-carbaldehyde.
Chemical Property Profile of 4-Nitrofurfural
Property Insights of 4-Nitrofurfural
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrofurfural. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrofurfural. Following Lipinski's Rule of Five, 4-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 4-Nitrofurfural?
The CAS number of 4-Nitrofurfural is 59282-34-7.
What is the molecular formula of 4-Nitrofurfural?
The molecular formula of 4-Nitrofurfural is C5H3NO4.
What is the molecular weight of 4-Nitrofurfural?
The molecular weight of 4-Nitrofurfural is 141.01 g/mol.
Where can I buy 4-Nitrofurfural?
You can request a quote for 4-Nitrofurfural directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrofurfural?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrofurfural and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.