1-(5-Nitrofuran-2-yl)propan-1-one
TL;DR: 1-(5-Nitrofuran-2-yl)propan-1-one (CAS 6316-28-5) is a chemical compound with molecular formula C7H7NO4 and molecular weight 169.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitrofuran-2-yl)propan-1-one
Also Known As: 1-(5-nitrofuran-2-yl)propan-1-one, 2-propionyl-5-nitrofuran, 1-Propanone,1-(5-nitro-2-furanyl)-, Aethyl-<5-nitro-furyl-(2)>-keton, RefChem:225824
| Molecular Formula | C7H7NO4 |
|---|---|
| Molecular Weight | 169.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.0375 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 6316-28-5 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(O1)[N+](=O)[O-] |
| InChIKey | NRWHTLRPNZTGJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Nitrofuran-2-yl)propan-1-one (CAS 6316-28-5), with molecular formula C7H7NO4 and molecular weight 169.04 g/mol. IUPAC: 1-(5-nitrofuran-2-yl)propan-1-one.
Chemical Property Profile of 1-(5-Nitrofuran-2-yl)propan-1-one
Property Insights of 1-(5-Nitrofuran-2-yl)propan-1-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Nitrofuran-2-yl)propan-1-one. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Nitrofuran-2-yl)propan-1-one. Following Lipinski's Rule of Five, 1-(5-Nitrofuran-2-yl)propan-1-one 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 1-(5-Nitrofuran-2-yl)propan-1-one?
The CAS number of 1-(5-Nitrofuran-2-yl)propan-1-one is 6316-28-5.
What is the molecular formula of 1-(5-Nitrofuran-2-yl)propan-1-one?
The molecular formula of 1-(5-Nitrofuran-2-yl)propan-1-one is C7H7NO4.
What is the molecular weight of 1-(5-Nitrofuran-2-yl)propan-1-one?
The molecular weight of 1-(5-Nitrofuran-2-yl)propan-1-one is 169.04 g/mol.
Where can I buy 1-(5-Nitrofuran-2-yl)propan-1-one?
You can request a quote for 1-(5-Nitrofuran-2-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Nitrofuran-2-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Nitrofuran-2-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.