5-Fluoro-3-phenyl-2,1-benzisoxazole
TL;DR: 5-Fluoro-3-phenyl-2,1-benzisoxazole (CAS 102125-73-5) is a chemical compound with molecular formula C13H8FNO and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-3-phenyl-2,1-benzoxazole
Also Known As: 5-Fluoro-3-phenyl-2,1-benzisoxazole, 5-fluoro-3-phenyl-2,1-benzoxazole, 3-Phenyl-5-fluoro-2,1-benzisoxazole, 5-Fluoro-3-phenyl-2,1-benzisoxazole #, RefChem:303193
| Molecular Formula | C13H8FNO |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.05899 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 102125-73-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)F |
| InChIKey | WETQNJQWUBANRB-UHFFFAOYSA-N |
Product Overview
5-Fluoro-3-phenyl-2,1-benzisoxazole (CAS 102125-73-5), with molecular formula C13H8FNO and molecular weight 213.06 g/mol. IUPAC: 5-fluoro-3-phenyl-2,1-benzoxazole.
Chemical Property Profile of 5-Fluoro-3-phenyl-2,1-benzisoxazole
Property Insights of 5-Fluoro-3-phenyl-2,1-benzisoxazole
The XLogP value of 3.5 indicates that 5-Fluoro-3-phenyl-2,1-benzisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 5-Fluoro-3-phenyl-2,1-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-3-phenyl-2,1-benzisoxazole has 0 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-Fluoro-3-phenyl-2,1-benzisoxazole?
The CAS number of 5-Fluoro-3-phenyl-2,1-benzisoxazole is 102125-73-5.
What is the molecular formula of 5-Fluoro-3-phenyl-2,1-benzisoxazole?
The molecular formula of 5-Fluoro-3-phenyl-2,1-benzisoxazole is C13H8FNO.
What is the molecular weight of 5-Fluoro-3-phenyl-2,1-benzisoxazole?
The molecular weight of 5-Fluoro-3-phenyl-2,1-benzisoxazole is 213.06 g/mol.
Where can I buy 5-Fluoro-3-phenyl-2,1-benzisoxazole?
You can request a quote for 5-Fluoro-3-phenyl-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-Fluoro-3-phenyl-2,1-benzisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-3-phenyl-2,1-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.