3-Bromo-5-(4-fluorophenyl)isoxazole
TL;DR: 3-Bromo-5-(4-fluorophenyl)isoxazole (CAS 903130-97-2) is a chemical compound with molecular formula C9H5BrFNO and molecular weight 240.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-(4-fluorophenyl)-1,2-oxazole
Also Known As: 3-Bromo-5-(4-fluorophenyl)isoxazole, 3-bromo-5-(4-fluorophenyl)-1,2-oxazole, s12204, B2185M500, N/A
| Molecular Formula | C9H5BrFNO |
|---|---|
| Molecular Weight | 240.95 g/mol |
| LogP | 3.2432 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.95386 |
| Heavy Atoms | 13 |
| Complexity | 409.80798 |
Chemical Identifiers
| CAS Number | 903130-97-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=NO2)Br)F |
Product Overview
3-Bromo-5-(4-fluorophenyl)isoxazole (CAS 903130-97-2), with molecular formula C9H5BrFNO and molecular weight 240.95 g/mol. IUPAC: 3-bromo-5-(4-fluorophenyl)-1,2-oxazole.
Chemical Property Profile of 3-Bromo-5-(4-fluorophenyl)isoxazole
Property Insights of 3-Bromo-5-(4-fluorophenyl)isoxazole
The XLogP value of 3.2432 indicates that 3-Bromo-5-(4-fluorophenyl)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, 3-Bromo-5-(4-fluorophenyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-(4-fluorophenyl)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 3-Bromo-5-(4-fluorophenyl)isoxazole?
The CAS number of 3-Bromo-5-(4-fluorophenyl)isoxazole is 903130-97-2.
What is the molecular formula of 3-Bromo-5-(4-fluorophenyl)isoxazole?
The molecular formula of 3-Bromo-5-(4-fluorophenyl)isoxazole is C9H5BrFNO.
What is the molecular weight of 3-Bromo-5-(4-fluorophenyl)isoxazole?
The molecular weight of 3-Bromo-5-(4-fluorophenyl)isoxazole is 240.95 g/mol.
Where can I buy 3-Bromo-5-(4-fluorophenyl)isoxazole?
You can request a quote for 3-Bromo-5-(4-fluorophenyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-(4-fluorophenyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-(4-fluorophenyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.