4-Chloro-2-(5-isoxazolyl)phenol
TL;DR: 4-Chloro-2-(5-isoxazolyl)phenol (CAS 86176-56-9) is a chemical compound with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(1,2-oxazol-5-yl)phenol
Also Known As: 4-chloro-2-(isoxazol-5-yl)phenol, Lopinavir, 4-Chloro-2-(5-isoxazolyl)phenol, 4-chloro-2-isoxazol-5-yl-phenol, 4-chloro-2- phenol
| Molecular Formula | C9H6ClNO2 |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 2.7006 |
| Topological Polar Surface Area | 46.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.00871 |
| Heavy Atoms | 13 |
| Complexity | 411.55798 |
Chemical Identifiers
| CAS Number | 86176-56-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C2=CC=NO2)O |
Product Overview
4-Chloro-2-(5-isoxazolyl)phenol (CAS 86176-56-9), with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol. IUPAC: 4-chloro-2-(1,2-oxazol-5-yl)phenol.
Chemical Property Profile of 4-Chloro-2-(5-isoxazolyl)phenol
Property Insights of 4-Chloro-2-(5-isoxazolyl)phenol
The XLogP value of 2.7006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(5-isoxazolyl)phenol. With a topological polar surface area (TPSA) of 46.26 Ų, 4-Chloro-2-(5-isoxazolyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-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-Chloro-2-(5-isoxazolyl)phenol?
The CAS number of 4-Chloro-2-(5-isoxazolyl)phenol is 86176-56-9.
What is the molecular formula of 4-Chloro-2-(5-isoxazolyl)phenol?
The molecular formula of 4-Chloro-2-(5-isoxazolyl)phenol is C9H6ClNO2.
What is the molecular weight of 4-Chloro-2-(5-isoxazolyl)phenol?
The molecular weight of 4-Chloro-2-(5-isoxazolyl)phenol is 195.01 g/mol.
Where can I buy 4-Chloro-2-(5-isoxazolyl)phenol?
You can request a quote for 4-Chloro-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-Chloro-2-(5-isoxazolyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(5-isoxazolyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.