Propitan
TL;DR: Propitan (CAS 2448-68-2) is a chemical compound with molecular formula C21H32Cl2FN3O2 and molecular weight 447.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride
Also Known As: Propitan, Pipamperone HCl, Pipamperone, pipamperone hydrochloride, Pipamperone dichlorhydrate
| Molecular Formula | C21H32Cl2FN3O2 |
|---|---|
| Molecular Weight | 447.19 g/mol |
| LogP | -6.23 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.18555 |
| Heavy Atoms | 29 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 2448-68-2 |
|---|---|
| SMILES | C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.[Cl-].[Cl-] |
| InChIKey | BMXXSXQVMCXGJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propitan (CAS 2448-68-2), with molecular formula C21H32Cl2FN3O2 and molecular weight 447.19 g/mol. IUPAC: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride.
Chemical Property Profile of Propitan
Property Insights of Propitan
The XLogP value of -6.23 indicates that Propitan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propitan. Following Lipinski's Rule of Five, Propitan has 3 hydrogen bond donor(s) and 5 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 Propitan?
The CAS number of Propitan is 2448-68-2.
What is the molecular formula of Propitan?
The molecular formula of Propitan is C21H32Cl2FN3O2.
What is the molecular weight of Propitan?
The molecular weight of Propitan is 447.19 g/mol.
Where can I buy Propitan?
You can request a quote for Propitan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propitan?
Yes, KEHONG BIO provides custom synthesis services for Propitan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.