Pirtenidine Hydrochloride
TL;DR: Pirtenidine Hydrochloride (CAS 100227-15-4) is a chemical compound with molecular formula C21H39ClN2 and molecular weight 354.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,1-dioctylpyridin-4-imine;hydrochloride
Also Known As: Pirtenidine hydrochloride, Pirtenidine HCl, Pirtenidine hydrochloride [USAN], Pirtenidine hydrochloride (USAN), WIN 52,172-2
| Molecular Formula | C21H39ClN2 |
|---|---|
| Molecular Weight | 354.28 g/mol |
| LogP | 6.5316 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 354.28018 |
| Heavy Atoms | 24 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 100227-15-4 |
|---|---|
| SMILES | CCCCCCCCN=C1C=CN(C=C1)CCCCCCCC.Cl |
| InChIKey | BQXQJMORUIBOJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pirtenidine Hydrochloride (CAS 100227-15-4), with molecular formula C21H39ClN2 and molecular weight 354.28 g/mol. IUPAC: N,1-dioctylpyridin-4-imine;hydrochloride.
Chemical Property Profile of Pirtenidine Hydrochloride
Property Insights of Pirtenidine Hydrochloride
The XLogP value of 6.5316 indicates that Pirtenidine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, Pirtenidine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pirtenidine Hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pirtenidine Hydrochloride?
The CAS number of Pirtenidine Hydrochloride is 100227-15-4.
What is the molecular formula of Pirtenidine Hydrochloride?
The molecular formula of Pirtenidine Hydrochloride is C21H39ClN2.
What is the molecular weight of Pirtenidine Hydrochloride?
The molecular weight of Pirtenidine Hydrochloride is 354.28 g/mol.
Where can I buy Pirtenidine Hydrochloride?
You can request a quote for Pirtenidine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pirtenidine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pirtenidine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.