1-Furan-2-yl-2-nitro-ethanone
TL;DR: 1-Furan-2-yl-2-nitro-ethanone (CAS 172745-17-4) 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-(furan-2-yl)-2-nitroethanone
Also Known As: 2-(Nitroacetyl)furan, 1-furan-2-yl-2-nitro-ethanone, 1-(2-Furyl)-2-nitroethanone, 1-(2-furyl)-2-nitro-ethanone, Ethanone, 1-(2-furanyl)-2-nitro-
| Molecular Formula | C6H5NO4 |
|---|---|
| Molecular Weight | 155.02 g/mol |
| LogP | 0.739 |
| Topological Polar Surface Area | 73.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.02185 |
| Heavy Atoms | 11 |
| Complexity | 264.11948 |
Chemical Identifiers
| CAS Number | 172745-17-4 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)C[N+](=O)[O-] |
Product Overview
1-Furan-2-yl-2-nitro-ethanone (CAS 172745-17-4), with molecular formula C6H5NO4 and molecular weight 155.02 g/mol. IUPAC: 1-(furan-2-yl)-2-nitroethanone.
Chemical Property Profile of 1-Furan-2-yl-2-nitro-ethanone
Property Insights of 1-Furan-2-yl-2-nitro-ethanone
The XLogP value of 0.739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Furan-2-yl-2-nitro-ethanone. The TPSA of 73.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Furan-2-yl-2-nitro-ethanone. Following Lipinski's Rule of Five, 1-Furan-2-yl-2-nitro-ethanone 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-Furan-2-yl-2-nitro-ethanone?
The CAS number of 1-Furan-2-yl-2-nitro-ethanone is 172745-17-4.
What is the molecular formula of 1-Furan-2-yl-2-nitro-ethanone?
The molecular formula of 1-Furan-2-yl-2-nitro-ethanone is C6H5NO4.
What is the molecular weight of 1-Furan-2-yl-2-nitro-ethanone?
The molecular weight of 1-Furan-2-yl-2-nitro-ethanone is 155.02 g/mol.
Where can I buy 1-Furan-2-yl-2-nitro-ethanone?
You can request a quote for 1-Furan-2-yl-2-nitro-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Furan-2-yl-2-nitro-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Furan-2-yl-2-nitro-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.