2-Acetyl-5-nitrofuran
TL;DR: 2-Acetyl-5-nitrofuran (CAS 5275-69-4) is a chemical compound with molecular formula C6H5NO4 and molecular weight 155.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitrofuran-2-yl)ethanone
Also Known As: 2-Acetyl-5-nitrofuran, 1-(5-nitrofuran-2-yl)ethanone, Furan, 2-acetyl-5-nitro-, 5-nitro-2-acetylfuran, Ketone, methyl 5-nitro-2-furyl
| Molecular Formula | C6H5NO4 |
|---|---|
| Molecular Weight | 155.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.02185 |
| Heavy Atoms | 11 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 5275-69-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | ORQQKSZUXNAWAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-5-nitrofuran (CAS 5275-69-4), with molecular formula C6H5NO4 and molecular weight 155.02 g/mol. IUPAC: 1-(5-nitrofuran-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-5-nitrofuran
Property Insights of 2-Acetyl-5-nitrofuran
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-5-nitrofuran. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-5-nitrofuran. Following Lipinski's Rule of Five, 2-Acetyl-5-nitrofuran 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 2-Acetyl-5-nitrofuran?
The CAS number of 2-Acetyl-5-nitrofuran is 5275-69-4.
What is the molecular formula of 2-Acetyl-5-nitrofuran?
The molecular formula of 2-Acetyl-5-nitrofuran is C6H5NO4.
What is the molecular weight of 2-Acetyl-5-nitrofuran?
The molecular weight of 2-Acetyl-5-nitrofuran is 155.02 g/mol.
Where can I buy 2-Acetyl-5-nitrofuran?
You can request a quote for 2-Acetyl-5-nitrofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-5-nitrofuran?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-5-nitrofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.