5-(4-Chlorophenyl)isoxazole
TL;DR: 5-(4-Chlorophenyl)isoxazole (CAS 132992-28-0) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.0138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-1,2-oxazole
Also Known As: 5-(4-Chlorophenyl)isoxazole, 5-(4-chlorophenyl)-1,2-oxazole, 5-p-chlorophenylisoxazole, 2,3,5-Trifluorophenylacetic acid, Isoxazole, 5-(4-chlorophenyl)-
Technical Specifications
| Molecular Formula | C9H6ClNO |
| Molecular Weight | 179.0138 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0138 Da |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| SMILES | C1=CC(=CC=C1C2=CC=NO2)Cl |
| InChIKey | DLWSAUPFARYKDH-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-Chlorophenyl)isoxazole
Property Insights of 5-(4-Chlorophenyl)isoxazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorophenyl)isoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 5-(4-Chlorophenyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)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
What is the CAS number of 5-(4-Chlorophenyl)isoxazole?
The CAS number of 5-(4-Chlorophenyl)isoxazole is 132992-28-0.
What is the molecular formula of 5-(4-Chlorophenyl)isoxazole?
The molecular formula of 5-(4-Chlorophenyl)isoxazole is C9H6ClNO.
What is the molecular weight of 5-(4-Chlorophenyl)isoxazole?
The molecular weight of 5-(4-Chlorophenyl)isoxazole is 179.0138 g/mol.
Where can I buy 5-(4-Chlorophenyl)isoxazole?
You can request a quote for 5-(4-Chlorophenyl)isoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-Chlorophenyl)isoxazole?
Yes, CoreyChem provides custom synthesis services for 5-(4-Chlorophenyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.