5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
TL;DR: 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride (CAS 84163-64-4) is a chemical compound with molecular formula C12H14ClFN2O and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
Also Known As: Paliperidone Impurity 9, 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride, 5-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride, 5-Fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride, 0373AF
| Molecular Formula | C12H14ClFN2O |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.8557 |
| Topological Polar Surface Area | 38.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.07788 |
| Heavy Atoms | 17 |
| Complexity | 508.175 |
Chemical Identifiers
| CAS Number | 84163-64-4 |
|---|---|
| SMILES | C1CNCCC1C2=NOC3=C2C=C(C=C3)F.Cl |
Product Overview
5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride (CAS 84163-64-4), with molecular formula C12H14ClFN2O and molecular weight 256.08 g/mol. IUPAC: 5-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride.
Chemical Property Profile of 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
Property Insights of 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
The XLogP value of 2.8557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride. With a topological polar surface area (TPSA) of 38.06 Ų, 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride 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 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride?
The CAS number of 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride is 84163-64-4.
What is the molecular formula of 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride?
The molecular formula of 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride is C12H14ClFN2O.
What is the molecular weight of 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride?
The molecular weight of 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride is 256.08 g/mol.
Where can I buy 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride?
You can request a quote for 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.