Vanoxerine dihydrochloride
TL;DR: Vanoxerine dihydrochloride (CAS 67469-78-7) is a chemical compound with molecular formula C28H34Cl2F2N2O and molecular weight 522.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
Also Known As: Vanoxerine dihydrochloride, GBR 12909 dihydrochloride, Vanoxeamine, Vanoxerine, Vanoxerine hydrochloride
| Molecular Formula | C28H34Cl2F2N2O |
|---|---|
| Molecular Weight | 522.20 g/mol |
| LogP | 6.16 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.2016 |
| Heavy Atoms | 35 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 67469-78-7 |
|---|---|
| SMILES | C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl |
| InChIKey | MIBSKSYCRFWIRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vanoxerine dihydrochloride (CAS 67469-78-7), with molecular formula C28H34Cl2F2N2O and molecular weight 522.20 g/mol. IUPAC: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride.
Chemical Property Profile of Vanoxerine dihydrochloride
Property Insights of Vanoxerine dihydrochloride
The XLogP value of 6.16 indicates that Vanoxerine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.7 Ų, Vanoxerine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vanoxerine dihydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vanoxerine dihydrochloride?
The CAS number of Vanoxerine dihydrochloride is 67469-78-7.
What is the molecular formula of Vanoxerine dihydrochloride?
The molecular formula of Vanoxerine dihydrochloride is C28H34Cl2F2N2O.
What is the molecular weight of Vanoxerine dihydrochloride?
The molecular weight of Vanoxerine dihydrochloride is 522.20 g/mol.
Where can I buy Vanoxerine dihydrochloride?
You can request a quote for Vanoxerine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanoxerine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Vanoxerine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.