3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole
TL;DR: 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole (CAS 84358-12-3) is a chemical compound with molecular formula C12H13FN2O and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
Also Known As: 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, 4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine, Risperidone EP Impurity M, 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole, Risperidone Impurity 27
| Molecular Formula | C12H13FN2O |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 2.4339 |
| Topological Polar Surface Area | 38.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.1012 |
| Heavy Atoms | 16 |
| Complexity | 502.6881 |
Chemical Identifiers
| CAS Number | 84358-12-3 |
|---|---|
| SMILES | C1CNCCC1C2=NOC3=C2C=CC(=C3)F |
Product Overview
3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole (CAS 84358-12-3), with molecular formula C12H13FN2O and molecular weight 220.10 g/mol. IUPAC: 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole.
Chemical Property Profile of 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole
Property Insights of 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole
The XLogP value of 2.4339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole. With a topological polar surface area (TPSA) of 38.06 Ų, 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole has 1 hydrogen bond donor(s) and 3 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-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole?
The CAS number of 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole is 84358-12-3.
What is the molecular formula of 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole?
The molecular formula of 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole is C12H13FN2O.
What is the molecular weight of 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole?
The molecular weight of 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole is 220.10 g/mol.
Where can I buy 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole?
You can request a quote for 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.