3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
TL;DR: 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one (CAS 4544-82-5) is a chemical compound with molecular formula C13H8N2O6 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
Also Known As: (E)-3-(5-nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
| Molecular Formula | C13H8N2O6 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.03824 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 4544-82-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=CC2=CC=C(O2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WSBHCZOAVRMSAS-UHFFFAOYSA-N |
Product Overview
3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one (CAS 4544-82-5), with molecular formula C13H8N2O6 and molecular weight 288.04 g/mol. IUPAC: 3-(5-nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
Property Insights of 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 6 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 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one?
The CAS number of 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one is 4544-82-5.
What is the molecular formula of 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one?
The molecular formula of 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one is C13H8N2O6.
What is the molecular weight of 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one?
The molecular weight of 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one is 288.04 g/mol.
Where can I buy 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one?
You can request a quote for 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Nitrofuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.