5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole
TL;DR: 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole (CAS 67445-85-6) is a chemical compound with molecular formula C13H8ClNO2 and molecular weight 245.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-chloro-2,1-benzoxazol-3-yl)phenol
Also Known As: starbld0028567, 5-chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole, 4-(5-chlorobenzo[c]isoxazol-3-yl)phenol, 4-(5-chloro-2,1-benzoxazol-3-yl)phenol, p-(5-chloro-2,1-benzisoxazol-3-yl)phenol
| Molecular Formula | C13H8ClNO2 |
|---|---|
| Molecular Weight | 245.02 g/mol |
| LogP | 3.8538 |
| Topological Polar Surface Area | 46.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.02435 |
| Heavy Atoms | 17 |
| Complexity | 673.4523 |
Chemical Identifiers
| CAS Number | 67445-85-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)Cl)O |
Product Overview
5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole (CAS 67445-85-6), with molecular formula C13H8ClNO2 and molecular weight 245.02 g/mol. IUPAC: 4-(5-chloro-2,1-benzoxazol-3-yl)phenol.
Chemical Property Profile of 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole
Property Insights of 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole
The XLogP value of 3.8538 indicates that 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.26 Ų, 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole 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 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole?
The CAS number of 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole is 67445-85-6.
What is the molecular formula of 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole?
The molecular formula of 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole is C13H8ClNO2.
What is the molecular weight of 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole?
The molecular weight of 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole is 245.02 g/mol.
Where can I buy 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole?
You can request a quote for 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-(4-hydroxyphenyl)-2,1-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.