5-(Chloromethyl)-3-phenylisoxazole
TL;DR: 5-(Chloromethyl)-3-phenylisoxazole (CAS 1011-37-6) is a chemical compound with molecular formula C10H8ClNO and molecular weight 193.02943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(chloromethyl)-3-phenyl-1,2-oxazole
Also Known As: 5-(Chloromethyl)-3-phenylisoxazole, 5-(chloromethyl)-3-phenyl-1,2-oxazole, chloromethylphenylisoxazole, 4-Iodo-2-methylpyridine, Isoxazole, 5-(chloromethyl)-3-phenyl-
Technical Specifications
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.02943 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.02943 Da |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2)CCl |
| InChIKey | WKLODVHSLLFKMY-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Chloromethyl)-3-phenylisoxazole
Property Insights of 5-(Chloromethyl)-3-phenylisoxazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)-3-phenylisoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 5-(Chloromethyl)-3-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)-3-phenylisoxazole 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-(Chloromethyl)-3-phenylisoxazole?
The CAS number of 5-(Chloromethyl)-3-phenylisoxazole is 1011-37-6.
What is the molecular formula of 5-(Chloromethyl)-3-phenylisoxazole?
The molecular formula of 5-(Chloromethyl)-3-phenylisoxazole is C10H8ClNO.
What is the molecular weight of 5-(Chloromethyl)-3-phenylisoxazole?
The molecular weight of 5-(Chloromethyl)-3-phenylisoxazole is 193.02943 g/mol.
Where can I buy 5-(Chloromethyl)-3-phenylisoxazole?
You can request a quote for 5-(Chloromethyl)-3-phenylisoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Chloromethyl)-3-phenylisoxazole?
Yes, CoreyChem provides custom synthesis services for 5-(Chloromethyl)-3-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.