4-Chloro-3,5-dimethylisoxazole
TL;DR: 4-Chloro-3,5-dimethylisoxazole (CAS 10557-86-5) is a chemical compound with molecular formula C5H6ClNO and molecular weight 131.0138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3,5-dimethyl-1,2-oxazole
Also Known As: 4-Chloro-3,5-dimethylisoxazole, 4-chloro-3,5-dimethyl-1,2-oxazole, Isoxazole, 4-chloro-3,5-dimethyl-, 3,5-Dimethyl-4-chloroisoxazole, 3,5-Dimethyl-4-chlor-isoxazol
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H6ClNO |
| Molecular Weight | 131.0138 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.0138 Da |
| Heavy Atoms | 8 |
| Complexity | 88.0 |
| SMILES | CC1=C(C(=NO1)C)Cl |
| InChIKey | JTJWPHJWCFVTMS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-3,5-dimethylisoxazole
Property Insights of 4-Chloro-3,5-dimethylisoxazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3,5-dimethylisoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Chloro-3,5-dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3,5-dimethylisoxazole 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 4-Chloro-3,5-dimethylisoxazole?
The CAS number of 4-Chloro-3,5-dimethylisoxazole is 10557-86-5.
What is the molecular formula of 4-Chloro-3,5-dimethylisoxazole?
The molecular formula of 4-Chloro-3,5-dimethylisoxazole is C5H6ClNO.
What is the molecular weight of 4-Chloro-3,5-dimethylisoxazole?
The molecular weight of 4-Chloro-3,5-dimethylisoxazole is 131.0138 g/mol.
Where can I buy 4-Chloro-3,5-dimethylisoxazole?
You can request a quote for 4-Chloro-3,5-dimethylisoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3,5-dimethylisoxazole?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3,5-dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.