5-(2,6-Difluorophenyl)isoxazole
TL;DR: 5-(2,6-Difluorophenyl)isoxazole (CAS 220141-74-2) is a chemical compound with molecular formula C9H5F2NO and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,6-difluorophenyl)-1,2-oxazole
Also Known As: 5-(2,6-Difluorophenyl)isoxazole, 5-(2,6-difluorophenyl)-1,2-oxazole, 5-(2-Furyl)isoxazole, 2,4,5-Trifluorophenylacetonitrile, 4087AD
| Molecular Formula | C9H5F2NO |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 2.6198 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.03392 |
| Heavy Atoms | 13 |
| Complexity | 391.30798 |
Chemical Identifiers
| CAS Number | 220141-74-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C2=CC=NO2)F |
Product Overview
5-(2,6-Difluorophenyl)isoxazole (CAS 220141-74-2), with molecular formula C9H5F2NO and molecular weight 181.03 g/mol. IUPAC: 5-(2,6-difluorophenyl)-1,2-oxazole.
Chemical Property Profile of 5-(2,6-Difluorophenyl)isoxazole
Property Insights of 5-(2,6-Difluorophenyl)isoxazole
The XLogP value of 2.6198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,6-Difluorophenyl)isoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 5-(2,6-Difluorophenyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,6-Difluorophenyl)isoxazole has 0 hydrogen bond donor(s) and 2 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 5-(2,6-Difluorophenyl)isoxazole?
The CAS number of 5-(2,6-Difluorophenyl)isoxazole is 220141-74-2.
What is the molecular formula of 5-(2,6-Difluorophenyl)isoxazole?
The molecular formula of 5-(2,6-Difluorophenyl)isoxazole is C9H5F2NO.
What is the molecular weight of 5-(2,6-Difluorophenyl)isoxazole?
The molecular weight of 5-(2,6-Difluorophenyl)isoxazole is 181.03 g/mol.
Where can I buy 5-(2,6-Difluorophenyl)isoxazole?
You can request a quote for 5-(2,6-Difluorophenyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,6-Difluorophenyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,6-Difluorophenyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.