3-Phenyl-2,1-benzisoxazole
TL;DR: 3-Phenyl-2,1-benzisoxazole (CAS 5176-14-7) is a chemical compound with molecular formula C13H9NO and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2,1-benzoxazole
Also Known As: 3-phenylbenzo[c]isoxazole, 3-phenyl-2,1-benzoxazole, Phenylanthranil, 3-Phenyl-2,1-benzisoxazole, 2,1-Benzisoxazole, 3-phenyl-
| Molecular Formula | C13H9NO |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 3.4948 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.06842 |
| Heavy Atoms | 15 |
| Complexity | 583.553 |
Chemical Identifiers
| CAS Number | 5176-14-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C3C=CC=CC3=NO2 |
Product Overview
3-Phenyl-2,1-benzisoxazole (CAS 5176-14-7), with molecular formula C13H9NO and molecular weight 195.07 g/mol. IUPAC: 3-phenyl-2,1-benzoxazole.
Chemical Property Profile of 3-Phenyl-2,1-benzisoxazole
Property Insights of 3-Phenyl-2,1-benzisoxazole
The XLogP value of 3.4948 indicates that 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 26.03 Ų, 3-Phenyl-2,1-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2,1-benzisoxazole has 0 hydrogen bond donor(s) and 2 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 3-Phenyl-2,1-benzisoxazole?
The CAS number of 3-Phenyl-2,1-benzisoxazole is 5176-14-7.
What is the molecular formula of 3-Phenyl-2,1-benzisoxazole?
The molecular formula of 3-Phenyl-2,1-benzisoxazole is C13H9NO.
What is the molecular weight of 3-Phenyl-2,1-benzisoxazole?
The molecular weight of 3-Phenyl-2,1-benzisoxazole is 195.07 g/mol.
Where can I buy 3-Phenyl-2,1-benzisoxazole?
You can request a quote for 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 3-Phenyl-2,1-benzisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2,1-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.