Piperalin
TL;DR: Piperalin (CAS 3478-94-2) is a chemical compound with molecular formula C16H21Cl2NO2 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate
Also Known As: Piperalin, Pipron, Caswell No. 575, Sodium naphthalide, PIPRON [HSDB]
| Molecular Formula | C16H21Cl2NO2 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.09494 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
| Melting Point | Decomposes at 208 °C |
| Boiling Point | 156-157 °C @ 20 mm Hg |
| Density | 1.18 g/cu cm |
| Solubility | Solubility: 3-5 g/100 ml in acetonitrile, 5-10 g/100 ml in hexane, and 5-10 g/100 ml in methanol |
| Flash Point | 71.1 C / 160 F |
Chemical Identifiers
| CAS Number | 3478-94-2 |
|---|---|
| SMILES | CC1CCCCN1CCCOC(=O)C2=CC(=C(C=C2)Cl)Cl |
| InChIKey | BZGLBXYQOMFXAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piperalin (CAS 3478-94-2), with molecular formula C16H21Cl2NO2 and molecular weight 329.09 g/mol. IUPAC: 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate.
Chemical Property Profile of Piperalin
Property Insights of Piperalin
The XLogP value of 4.7 indicates that Piperalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Piperalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperalin 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
Frequently Asked Questions
What is the CAS number of Piperalin?
The CAS number of Piperalin is 3478-94-2.
What is the molecular formula of Piperalin?
The molecular formula of Piperalin is C16H21Cl2NO2.
What is the molecular weight of Piperalin?
The molecular weight of Piperalin is 329.09 g/mol.
Where can I buy Piperalin?
You can request a quote for Piperalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperalin?
Yes, KEHONG BIO provides custom synthesis services for Piperalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.