5-(3-Nitrophenyl)furfural
TL;DR: 5-(3-Nitrophenyl)furfural (CAS 53997-74-3) is a chemical compound with molecular formula C11H7NO4 and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-nitrophenyl)furan-2-carbaldehyde
Also Known As: 5-(3-nitrophenyl)furan-2-carbaldehyde, 5-(3-Nitrophenyl)-2-furaldehyde, 5-(3-Nitrophenyl)furfural, 2-formyl-5-(3-nitrophenyl)furan, 2-Furancarboxaldehyde, 5-(3-nitrophenyl)-
| Molecular Formula | C11H7NO4 |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0375 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 53997-74-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=O |
| InChIKey | DXUACWQWQDJZMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-Nitrophenyl)furfural (CAS 53997-74-3), with molecular formula C11H7NO4 and molecular weight 217.04 g/mol. IUPAC: 5-(3-nitrophenyl)furan-2-carbaldehyde.
Chemical Property Profile of 5-(3-Nitrophenyl)furfural
Property Insights of 5-(3-Nitrophenyl)furfural
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Nitrophenyl)furfural. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Nitrophenyl)furfural. Following Lipinski's Rule of Five, 5-(3-Nitrophenyl)furfural 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-(3-Nitrophenyl)furfural?
The CAS number of 5-(3-Nitrophenyl)furfural is 53997-74-3.
What is the molecular formula of 5-(3-Nitrophenyl)furfural?
The molecular formula of 5-(3-Nitrophenyl)furfural is C11H7NO4.
What is the molecular weight of 5-(3-Nitrophenyl)furfural?
The molecular weight of 5-(3-Nitrophenyl)furfural is 217.04 g/mol.
Where can I buy 5-(3-Nitrophenyl)furfural?
You can request a quote for 5-(3-Nitrophenyl)furfural directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Nitrophenyl)furfural?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Nitrophenyl)furfural and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.