Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl
TL;DR: Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl (CAS 17960-21-3) is a chemical compound with molecular formula C15H10N2O5 and molecular weight 298.05896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(5-nitrofuran-2-yl)-5-phenyl-1,2-oxazol-4-yl]ethanone
Also Known As: KETONE, METHYL 3-(5-NITRO-2-FURYL)-5-PHENYL-4-ISOXAZOLYL, Methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl ketone, 1-[3-(5-nitrofuran-2-yl)-5-phenyl-1,2-oxazol-4-yl]ethanone, 1-[3-(5-Nitrofuran-2-yl)-5-phenyl-1,2-oxazol-4-yl]ethan-1-one, BRN 0559616
Technical Specifications
| Molecular Formula | C15H10N2O5 |
| Molecular Weight | 298.05896 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.05896 Da |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
| SMILES | CC(=O)C1=C(ON=C1C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | KLYYANDIYRHSRO-UHFFFAOYSA-N |
Chemical Property Profile of Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl
Property Insights of Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl. Following Lipinski's Rule of Five, Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl 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
What is the CAS number of Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl?
The CAS number of Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl is 17960-21-3.
What is the molecular formula of Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl?
The molecular formula of Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl is C15H10N2O5.
What is the molecular weight of Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl?
The molecular weight of Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl is 298.05896 g/mol.
Where can I buy Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl?
You can request a quote for Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl?
Yes, CoreyChem provides custom synthesis services for Ketone, methyl 3-(5-nitro-2-furyl)-5-phenyl-4-isoxazolyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.