3-Bromo-5-phenyl-1,2-oxazole
TL;DR: 3-Bromo-5-phenyl-1,2-oxazole (CAS 10557-74-1) 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.
3-bromo-5-phenyl-1,2-oxazole
Also Known As: 3-bromo-5-phenylisoxazole, 3-bromo-5-phenyl-1,2-oxazole, 3-BROMO-5-PHENYL-ISOXAZOLE, PENTAFLUOROPHENYLACETATE, Isoxazole,3-bromo-5-phenyl-
| Molecular Formula | C9H6BrNO |
|---|---|
| Molecular Weight | 222.96 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.96329 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 10557-74-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NO2)Br |
| InChIKey | SMWZGZIZOHNWBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-5-phenyl-1,2-oxazole (CAS 10557-74-1), with molecular formula C9H6BrNO and molecular weight 222.96 g/mol. IUPAC: 3-bromo-5-phenyl-1,2-oxazole.
Chemical Property Profile of 3-Bromo-5-phenyl-1,2-oxazole
Property Insights of 3-Bromo-5-phenyl-1,2-oxazole
The XLogP value of 3.6 indicates that 3-Bromo-5-phenyl-1,2-oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Bromo-5-phenyl-1,2-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-phenyl-1,2-oxazole 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-phenyl-1,2-oxazole?
The CAS number of 3-Bromo-5-phenyl-1,2-oxazole is 10557-74-1.
What is the molecular formula of 3-Bromo-5-phenyl-1,2-oxazole?
The molecular formula of 3-Bromo-5-phenyl-1,2-oxazole is C9H6BrNO.
What is the molecular weight of 3-Bromo-5-phenyl-1,2-oxazole?
The molecular weight of 3-Bromo-5-phenyl-1,2-oxazole is 222.96 g/mol.
Where can I buy 3-Bromo-5-phenyl-1,2-oxazole?
You can request a quote for 3-Bromo-5-phenyl-1,2-oxazole 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-phenyl-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-phenyl-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.