![2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone structure](/static/products/2580/25806-49-9.webp)
2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone
TL;DR: 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone (CAS 25806-49-9) is a chemical compound with molecular formula C11H7BrClNO2 and molecular weight 298.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanone
Also Known As: 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole, 2-BROMO-1-[3-(4-CHLOROPHENYL)-5-ISOXAZOLYL]-1-ETHANONE, BUTTPARK 43\57-77, 2-bromo-1-(3-(4-chlorophenyl)isoxazol-5-yl)ethanone, 2-bromo-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanone
| Molecular Formula | C11H7BrClNO2 |
|---|---|
| Molecular Weight | 298.93 g/mol |
| LogP | 3.5726 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.93488 |
| Heavy Atoms | 16 |
| Complexity | 506.95804 |
Chemical Identifiers
| CAS Number | 25806-49-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC(=C2)C(=O)CBr)Cl |
Product Overview
2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone (CAS 25806-49-9), with molecular formula C11H7BrClNO2 and molecular weight 298.93 g/mol. IUPAC: 2-bromo-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanone.
Chemical Property Profile of 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone
Property Insights of 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone
The XLogP value of 3.5726 indicates that 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone has 0 hydrogen bond donor(s) and 3 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 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone?
The CAS number of 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone is 25806-49-9.
What is the molecular formula of 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone?
The molecular formula of 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone is C11H7BrClNO2.
What is the molecular weight of 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone?
The molecular weight of 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone is 298.93 g/mol.
Where can I buy 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone?
You can request a quote for 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.