5-(2,4-Difluorophenyl)isoxazole
TL;DR: 5-(2,4-Difluorophenyl)isoxazole (CAS 114152-21-5) is a chemical compound with molecular formula C9H5F2NO and molecular weight 181.03392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2,4-difluorophenyl)-1,2-oxazole
Also Known As: 5-(2,4-Difluorophenyl)isoxazole, 5-(2,4-difluorophenyl)-1,2-oxazole, 2,3,6-Trifluorophenylacetonitrile, 5-(4-fluorophenyl)-1,2-oxazole, 4088AD
Technical Specifications
| Molecular Formula | C9H5F2NO |
| Molecular Weight | 181.03392 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.03392 Da |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
| SMILES | C1=CC(=C(C=C1F)F)C2=CC=NO2 |
| InChIKey | AWWPOAOBEPJBQE-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2,4-Difluorophenyl)isoxazole
Property Insights of 5-(2,4-Difluorophenyl)isoxazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,4-Difluorophenyl)isoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 5-(2,4-Difluorophenyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,4-Difluorophenyl)isoxazole 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 5-(2,4-Difluorophenyl)isoxazole?
The CAS number of 5-(2,4-Difluorophenyl)isoxazole is 114152-21-5.
What is the molecular formula of 5-(2,4-Difluorophenyl)isoxazole?
The molecular formula of 5-(2,4-Difluorophenyl)isoxazole is C9H5F2NO.
What is the molecular weight of 5-(2,4-Difluorophenyl)isoxazole?
The molecular weight of 5-(2,4-Difluorophenyl)isoxazole is 181.03392 g/mol.
Where can I buy 5-(2,4-Difluorophenyl)isoxazole?
You can request a quote for 5-(2,4-Difluorophenyl)isoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2,4-Difluorophenyl)isoxazole?
Yes, CoreyChem provides custom synthesis services for 5-(2,4-Difluorophenyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.