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1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium structure
Fine Chemical

1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium

TL;DR: 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium (CAS 957116-20-0) is a chemical compound with molecular formula C26H28F2N2+2 and molecular weight 406.22205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium

Also Known As: MK-3207 HCl, 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazinediium, 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium

CAS Number
957116-20-0
Molecular Formula
C26H28F2N2+2
Molecular Weight
406.22205 g/mol
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Technical Specifications

Molecular FormulaC26H28F2N2+2
Molecular Weight406.22205 g/mol
XLogP6.0
Topological Polar Surface Area (TPSA)8.9 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors2
Rotatable Bonds6
Exact Mass406.22205 Da
Heavy Atoms30
Complexity487.0
SMILESC1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChIKeySMANXXCATUTDDT-UHFFFAOYSA-P

Product Description

Applications: 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium is a fine chemical identified by CAS number 957116-20-0 and the molecular formula C26H28F2N2+2 and a molecular weight of 406.22 g/mol. Synonyms include MK-3207 HCl and 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazinediium.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium

XLogP
6.0
TPSA (Topological Polar Surface Area)
8.9
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
Rotatable Bonds
6
Heavy Atoms
30
Complexity
487.0
Exact Mass
406.22205
Monoisotopic Mass
406.22205
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium

The XLogP value of 6.0 indicates that 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.9 Ų, 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium?

The CAS number of 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium is 957116-20-0.

What is the molecular formula of 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium?

The molecular formula of 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium is C26H28F2N2+2.

What is the molecular weight of 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium?

The molecular weight of 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium is 406.22205 g/mol.

What are the applications of 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium?

1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...

Where can I buy 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium?

You can request a quote for 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium?

Yes, CoreyChem provides custom synthesis services for 1-[Bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1,4-diium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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