Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-
TL;DR: Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- (CAS 5300-92-5) is a chemical compound with molecular formula C10H7BrClNO and molecular weight 270.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole
Also Known As: 5-(bromomethyl)-3-(4-chlorophenyl)isoxazole, 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole, 5- -3- ISOXAZOLE, 5-Bromomethyl-3-(p-chlorophenyl)isoxazole, Furan-3-ylethynyltrimethylsilane
| Molecular Formula | C10H7BrClNO |
|---|---|
| Molecular Weight | 270.94 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.93994 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 5300-92-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC(=C2)CBr)Cl |
| InChIKey | YGCXXYLQISERCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- (CAS 5300-92-5), with molecular formula C10H7BrClNO and molecular weight 270.94 g/mol. IUPAC: 5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole.
Chemical Property Profile of Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-
Property Insights of Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-
The XLogP value of 3.3 indicates that Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- 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 Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-?
The CAS number of Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- is 5300-92-5.
What is the molecular formula of Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-?
The molecular formula of Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- is C10H7BrClNO.
What is the molecular weight of Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-?
The molecular weight of Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- is 270.94 g/mol.
Where can I buy Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-?
You can request a quote for Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.