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2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one structure
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2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one

TL;DR: 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one (CAS 898465-34-4) is a chemical compound with molecular formula C24H25FN2O3 and molecular weight 408.1849 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[(4-benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one

Also Known As: 2-[(4-benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]-4H-pyran-4-one, 2-[(4-benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one, F2617-1913, 2-((4-benzylpiperazin-1-yl)methyl)-5-((3-fluorobenzyl)oxy)-4H-pyran-4-one

CAS Number
898465-34-4
Molecular Formula
C24H25FN2O3
Molecular Weight
408.1849 g/mol
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Technical Specifications

Molecular FormulaC24H25FN2O3
Molecular Weight408.1849 g/mol
XLogP3.1
Topological Polar Surface Area (TPSA)42.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds7
Exact Mass408.1849 Da
Heavy Atoms30
Complexity636.0
SMILESC1CN(CCN1CC2=CC=CC=C2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)F
InChIKeyXCDPPRHVQGDCDI-UHFFFAOYSA-N

Chemical Property Profile of 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one

XLogP
3.1
TPSA (Topological Polar Surface Area)
42.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
7
Heavy Atoms
30
Complexity
636.0
Exact Mass
408.1849
Monoisotopic Mass
408.1849
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 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one

The XLogP value of 3.1 indicates that 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one?

The CAS number of 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one is 898465-34-4.

What is the molecular formula of 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one?

The molecular formula of 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one is C24H25FN2O3.

What is the molecular weight of 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one?

The molecular weight of 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one is 408.1849 g/mol.

Where can I buy 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one?

You can request a quote for 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one?

Yes, CoreyChem provides custom synthesis services for 2-[(4-Benzylpiperazin-1-yl)methyl]-5-[(3-fluorophenyl)methoxy]pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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