Flupropadine hydrochloride
TL;DR: Flupropadine hydrochloride (CAS 81613-60-7) is a chemical compound with molecular formula C20H24ClF6N and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butylpiperidine;hydrochloride
Also Known As: Flupropadine Hydrochloride, Piperidine, 1-(3-(3,5-bis(trifluoromethyl)phenyl)-2-propynyl)-4-(1,1-dimethylethyl)-, hydrochloride, 1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butylpiperidine;hydrochloride, 1-(3-(3,5-Bis(trifluoromethyl)phenyl)-2-propynyl)-4-(tert-butyl)piperidinium chloride, 1-[3-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-PROPYNYL]-4-(TERT-BUTYL)PIPERIDINIUM CHLORIDE
| Molecular Formula | C20H24ClF6N |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 6.2556 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.15015 |
| Heavy Atoms | 28 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 81613-60-7 |
|---|---|
| SMILES | CC(C)(C)C1CCN(CC1)CC#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.Cl |
| InChIKey | NLECRQYFKWPVEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flupropadine hydrochloride (CAS 81613-60-7), with molecular formula C20H24ClF6N and molecular weight 427.15 g/mol. IUPAC: 1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butylpiperidine;hydrochloride.
Chemical Property Profile of Flupropadine hydrochloride
Property Insights of Flupropadine hydrochloride
The XLogP value of 6.2556 indicates that Flupropadine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Flupropadine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Flupropadine hydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Flupropadine hydrochloride?
The CAS number of Flupropadine hydrochloride is 81613-60-7.
What is the molecular formula of Flupropadine hydrochloride?
The molecular formula of Flupropadine hydrochloride is C20H24ClF6N.
What is the molecular weight of Flupropadine hydrochloride?
The molecular weight of Flupropadine hydrochloride is 427.15 g/mol.
Where can I buy Flupropadine hydrochloride?
You can request a quote for Flupropadine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flupropadine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Flupropadine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.