1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one
TL;DR: 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one (CAS 111042-57-0) is a chemical compound with molecular formula C13H9NO4 and molecular weight 243.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(furan-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Also Known As: (2E)-1-(furan-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one, 1-Furan-2-yl-3-(3-nitro-phenyl)-propenone, BAS 00791986, (E)-1-(furan-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one, 1-(furan-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C13H9NO4 |
| Molecular Weight | 243.05316 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.05316 Da |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CC=CO2 |
| InChIKey | NSUYUXFCVIEMIN-VOTSOKGWSA-N |
Chemical Property Profile of 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one
Property Insights of 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one. Following Lipinski's Rule of Five, 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-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
What is the CAS number of 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one?
The CAS number of 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one is 111042-57-0.
What is the molecular formula of 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one?
The molecular formula of 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one is C13H9NO4.
What is the molecular weight of 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one?
The molecular weight of 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one is 243.05316 g/mol.
Where can I buy 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one?
You can request a quote for 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.