3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole
TL;DR: 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole (CAS 863669-65-2) is a chemical compound with molecular formula C11H9ClFNO and molecular weight 225.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
Also Known As: 3-(CHLOROMETHYL)-5-(4-FLUOROPHENYL)-4-METHYLISOXAZOLE, 3-(chloromethyl)-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
| Molecular Formula | C11H9ClFNO |
|---|---|
| Molecular Weight | 225.04 g/mol |
| LogP | 3.52792 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.03568 |
| Heavy Atoms | 15 |
| Complexity | 463.94022 |
Chemical Identifiers
| CAS Number | 863669-65-2 |
|---|---|
| SMILES | CC1=C(ON=C1CCl)C2=CC=C(C=C2)F |
Product Overview
3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole (CAS 863669-65-2), with molecular formula C11H9ClFNO and molecular weight 225.04 g/mol. IUPAC: 3-(chloromethyl)-5-(4-fluorophenyl)-4-methyl-1,2-oxazole.
Chemical Property Profile of 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole
Property Insights of 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole
The XLogP value of 3.52792 indicates that 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole 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-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole 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-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole?
The CAS number of 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole is 863669-65-2.
What is the molecular formula of 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole?
The molecular formula of 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole is C11H9ClFNO.
What is the molecular weight of 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole?
The molecular weight of 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole is 225.04 g/mol.
Where can I buy 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole?
You can request a quote for 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.