5-(3-Bromophenyl)isoxazole
TL;DR: 5-(3-Bromophenyl)isoxazole (CAS 7064-33-7) is a chemical compound with molecular formula C9H6BrNO and molecular weight 222.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromophenyl)-1,2-oxazole
Also Known As: 5-(3-Bromophenyl)isoxazole, 5-(3-bromophenyl)-1,2-oxazole, zlchem 1341, 3,4-DICHLOROBIPHENYL, Isoxazole,5-(3-bromophenyl)-
| Molecular Formula | C9H6BrNO |
|---|---|
| Molecular Weight | 222.96 g/mol |
| LogP | 3.1041 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.96329 |
| Heavy Atoms | 12 |
| Complexity | 369.77737 |
Chemical Identifiers
| CAS Number | 7064-33-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=CC=NO2 |
Product Overview
5-(3-Bromophenyl)isoxazole (CAS 7064-33-7), with molecular formula C9H6BrNO and molecular weight 222.96 g/mol. IUPAC: 5-(3-bromophenyl)-1,2-oxazole.
Chemical Property Profile of 5-(3-Bromophenyl)isoxazole
Property Insights of 5-(3-Bromophenyl)isoxazole
The XLogP value of 3.1041 indicates that 5-(3-Bromophenyl)isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 5-(3-Bromophenyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Bromophenyl)isoxazole 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-(3-Bromophenyl)isoxazole?
The CAS number of 5-(3-Bromophenyl)isoxazole is 7064-33-7.
What is the molecular formula of 5-(3-Bromophenyl)isoxazole?
The molecular formula of 5-(3-Bromophenyl)isoxazole is C9H6BrNO.
What is the molecular weight of 5-(3-Bromophenyl)isoxazole?
The molecular weight of 5-(3-Bromophenyl)isoxazole is 222.96 g/mol.
Where can I buy 5-(3-Bromophenyl)isoxazole?
You can request a quote for 5-(3-Bromophenyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Bromophenyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Bromophenyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.