Pifexole
TL;DR: Pifexole (CAS 27199-40-2) is a chemical compound with molecular formula C13H8ClN3O and molecular weight 257.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
Also Known As: Pifexole, Udarnol, Pifexol, Pifexolum, Pifexole [INN]
| Molecular Formula | C13H8ClN3O |
|---|---|
| Molecular Weight | 257.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.03558 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| Solubility | 7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 27199-40-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=NC=C3)Cl |
| InChIKey | YXVGPSQAIBDQJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pifexole (CAS 27199-40-2), with molecular formula C13H8ClN3O and molecular weight 257.04 g/mol. IUPAC: 5-(2-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
Chemical Property Profile of Pifexole
Property Insights of Pifexole
The XLogP value of 3.0 indicates that Pifexole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Pifexole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pifexole has 0 hydrogen bond donor(s) and 4 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 Pifexole?
The CAS number of Pifexole is 27199-40-2.
What is the molecular formula of Pifexole?
The molecular formula of Pifexole is C13H8ClN3O.
What is the molecular weight of Pifexole?
The molecular weight of Pifexole is 257.04 g/mol.
Where can I buy Pifexole?
You can request a quote for Pifexole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pifexole?
Yes, KEHONG BIO provides custom synthesis services for Pifexole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.