4-Fluoro-2-(5-isoxazolyl)phenol
TL;DR: 4-Fluoro-2-(5-isoxazolyl)phenol (CAS 288401-62-7) is a chemical compound with molecular formula C9H6FNO2 and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-2-(1,2-oxazol-5-yl)phenol
Also Known As: 4-Fluoro-2-(5-isoxazolyl)phenol, 4-fluoro-2-(isoxazol-5-yl)phenol, 5-(5-Fluoro-2-hydroxyphenyl)isoxazole, 4-fluoro-2-(1,2-oxazol-5-yl)phenol, Phenol, 4-fluoro-2-(5-isoxazolyl)-
| Molecular Formula | C9H6FNO2 |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.1863 |
| Topological Polar Surface Area | 46.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.03825 |
| Heavy Atoms | 13 |
| Complexity | 411.55798 |
Chemical Identifiers
| CAS Number | 288401-62-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)C2=CC=NO2)O |
Product Overview
4-Fluoro-2-(5-isoxazolyl)phenol (CAS 288401-62-7), with molecular formula C9H6FNO2 and molecular weight 179.04 g/mol. IUPAC: 4-fluoro-2-(1,2-oxazol-5-yl)phenol.
Chemical Property Profile of 4-Fluoro-2-(5-isoxazolyl)phenol
Property Insights of 4-Fluoro-2-(5-isoxazolyl)phenol
The XLogP value of 2.1863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-2-(5-isoxazolyl)phenol. With a topological polar surface area (TPSA) of 46.26 Ų, 4-Fluoro-2-(5-isoxazolyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-2-(5-isoxazolyl)phenol has 1 hydrogen bond donor(s) and 3 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 4-Fluoro-2-(5-isoxazolyl)phenol?
The CAS number of 4-Fluoro-2-(5-isoxazolyl)phenol is 288401-62-7.
What is the molecular formula of 4-Fluoro-2-(5-isoxazolyl)phenol?
The molecular formula of 4-Fluoro-2-(5-isoxazolyl)phenol is C9H6FNO2.
What is the molecular weight of 4-Fluoro-2-(5-isoxazolyl)phenol?
The molecular weight of 4-Fluoro-2-(5-isoxazolyl)phenol is 179.04 g/mol.
Where can I buy 4-Fluoro-2-(5-isoxazolyl)phenol?
You can request a quote for 4-Fluoro-2-(5-isoxazolyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-2-(5-isoxazolyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-2-(5-isoxazolyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.