![1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone structure](/static/products/5460/54605-77-5.webp)
1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone
TL;DR: 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone (CAS 54605-77-5) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-nitrophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
Also Known As: Ethanone, 1-[4,5-dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]-, 1-[3-(4-Nitrophenyl)-4-phenyl-4,5-dihydro-5-isoxazolyl]ethanone, 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone, 1-[3-(4-nitrophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethan-1-one, 1-(4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl)ethanone
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 54605-77-5 |
|---|---|
| SMILES | CC(=O)C1C(C(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | LQYPUTJGTDCSNF-UHFFFAOYSA-N |
Product Overview
1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone (CAS 54605-77-5), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: 1-[3-(4-nitrophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone.
Chemical Property Profile of 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone
Property Insights of 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone
The XLogP value of 3.1 indicates that 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone. Following Lipinski's Rule of Five, 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone has 0 hydrogen bond donor(s) and 5 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-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone?
The CAS number of 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone is 54605-77-5.
What is the molecular formula of 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone?
The molecular formula of 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone is C17H14N2O4.
What is the molecular weight of 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone?
The molecular weight of 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone is 310.10 g/mol.
Where can I buy 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone?
You can request a quote for 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4,5-Dihydro-3-(4-nitrophenyl)-4-phenyl-5-isoxazolyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.