5-Bromo-3-phenyl-2,1-benzisoxazole
TL;DR: 5-Bromo-3-phenyl-2,1-benzisoxazole (CAS 885-34-7) is a chemical compound with molecular formula C13H8BrNO and molecular weight 272.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-phenyl-2,1-benzoxazole
Also Known As: 5-Bromo-3-phenyl-2,1-benzisoxazole, 5-bromo-3-phenylbenzo[c]isoxazole, 5-bromo-3-phenyl-2,1-benzoxazole, TimTec1_001909, 2,1-Benzisoxazole, 5-bromo-3-phenyl-
| Molecular Formula | C13H8BrNO |
|---|---|
| Molecular Weight | 272.98 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.97894 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 885-34-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Br |
| InChIKey | HKEVIXPPTCEYEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-3-phenyl-2,1-benzisoxazole (CAS 885-34-7), with molecular formula C13H8BrNO and molecular weight 272.98 g/mol. IUPAC: 5-bromo-3-phenyl-2,1-benzoxazole.
Chemical Property Profile of 5-Bromo-3-phenyl-2,1-benzisoxazole
Property Insights of 5-Bromo-3-phenyl-2,1-benzisoxazole
The XLogP value of 4.1 indicates that 5-Bromo-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-Bromo-3-phenyl-2,1-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-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 5-Bromo-3-phenyl-2,1-benzisoxazole?
The CAS number of 5-Bromo-3-phenyl-2,1-benzisoxazole is 885-34-7.
What is the molecular formula of 5-Bromo-3-phenyl-2,1-benzisoxazole?
The molecular formula of 5-Bromo-3-phenyl-2,1-benzisoxazole is C13H8BrNO.
What is the molecular weight of 5-Bromo-3-phenyl-2,1-benzisoxazole?
The molecular weight of 5-Bromo-3-phenyl-2,1-benzisoxazole is 272.98 g/mol.
Where can I buy 5-Bromo-3-phenyl-2,1-benzisoxazole?
You can request a quote for 5-Bromo-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-Bromo-3-phenyl-2,1-benzisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-phenyl-2,1-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.