2-(5-Isoxazolyl)phenol
TL;DR: 2-(5-Isoxazolyl)phenol (CAS 61348-51-4) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-oxazol-5-yl)phenol
Also Known As: 2-(5-Isoxazolyl)phenol, 2-(Isoxazol-5-yl)phenol, 2-(1,2-Oxazol-5-Yl)Phenol, 2-isoxazol-5-ylphenol, Phenol, 2-(5-isoxazolyl)-
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 61348-51-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=NO2)O |
| InChIKey | DBDXTIAEVFSDNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(5-Isoxazolyl)phenol (CAS 61348-51-4), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 2-(1,2-oxazol-5-yl)phenol.
Chemical Property Profile of 2-(5-Isoxazolyl)phenol
Property Insights of 2-(5-Isoxazolyl)phenol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Isoxazolyl)phenol. With a topological polar surface area (TPSA) of 46.3 Ų, 2-(5-Isoxazolyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 2-(5-Isoxazolyl)phenol?
The CAS number of 2-(5-Isoxazolyl)phenol is 61348-51-4.
What is the molecular formula of 2-(5-Isoxazolyl)phenol?
The molecular formula of 2-(5-Isoxazolyl)phenol is C9H7NO2.
What is the molecular weight of 2-(5-Isoxazolyl)phenol?
The molecular weight of 2-(5-Isoxazolyl)phenol is 161.05 g/mol.
Where can I buy 2-(5-Isoxazolyl)phenol?
You can request a quote for 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 2-(5-Isoxazolyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Isoxazolyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.