Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)-
TL;DR: Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)- (CAS 70217-01-5) is a chemical compound with molecular formula C13H8ClNO3 and molecular weight 261.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenol
Also Known As: 4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenol, 4-((6-Chlorobenzo[d]oxazol-2-yl)oxy)phenol, Desethylpropionate Fenoxaprop P, Fenoxaprop-P-ethyl metabolite, 4-[(6-Chloro-2-benzoxazolyl)oxy]phenol
| Molecular Formula | C13H8ClNO3 |
|---|---|
| Molecular Weight | 261.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.01926 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 70217-01-5 |
|---|---|
| SMILES | C1=CC(=CC=C1O)OC2=NC3=C(O2)C=C(C=C3)Cl |
| InChIKey | VMFCMPIPSNBHJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)- (CAS 70217-01-5), with molecular formula C13H8ClNO3 and molecular weight 261.02 g/mol. IUPAC: 4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenol.
Chemical Property Profile of Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)-
Property Insights of Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)-
The XLogP value of 3.1 indicates that Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)- has 1 hydrogen bond donor(s) and 4 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 Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)-?
The CAS number of Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)- is 70217-01-5.
What is the molecular formula of Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)-?
The molecular formula of Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)- is C13H8ClNO3.
What is the molecular weight of Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)-?
The molecular weight of Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)- is 261.02 g/mol.
Where can I buy Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)-?
You can request a quote for Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-((6-chloro-2-benzoxazolyl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.