3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole
TL;DR: 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole (CAS 149412-49-7) is a chemical compound with molecular formula C11H11ClFNO and molecular weight 227.05132 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorobutyl)-6-fluoro-1,2-benzoxazole
Also Known As: 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole, 1,2-Benzisoxazole, 3-(4-chlorobutyl)-6-fluoro-, 3-(4-chlorobutyl)-6-fluoro-benzo[d]isoxazole, 4-(6-fluoro-1,2-benzisoxazol-3-yl)butyl chloride
Technical Specifications
| Molecular Formula | C11H11ClFNO |
| Molecular Weight | 227.05132 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.05132 Da |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
| SMILES | C1=CC2=C(C=C1F)ON=C2CCCCCl |
| InChIKey | QBSPVMANXRNJLM-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole
Property Insights of 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole
The XLogP value of 3.4 indicates that 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole?
The CAS number of 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole is 149412-49-7.
What is the molecular formula of 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole?
The molecular formula of 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole is C11H11ClFNO.
What is the molecular weight of 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole?
The molecular weight of 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole is 227.05132 g/mol.
Where can I buy 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole?
You can request a quote for 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole?
Yes, CoreyChem provides custom synthesis services for 3-(4-Chlorobutyl)-6-fluoro-1,2-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.