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2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium structure
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2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium

TL;DR: 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium (CAS 42457-53-4) is a chemical compound with molecular formula C17H21N2+ and molecular weight 253.17047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline

Also Known As: daspei, 2-(4-Dimethylaminostyryl)-1-ethylpyridinium, 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium, 4-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline, 2-{2-[4-(Dimethylamino)phenyl]ethen-1-yl}-1-ethylpyridin-1-ium

CAS Number
42457-53-4
Molecular Formula
C17H21N2+
Molecular Weight
253.17047 g/mol
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Application Areas

Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (8 patents) Heterocyclic Building Blocks (2 patents) Organometallic Reagents (1 patents) Pharmaceutical Intermediates (15 patents) Photographic Chemicals (4 patents)

Technical Specifications

Molecular FormulaC17H21N2+
Molecular Weight253.17047 g/mol
XLogP3.7
Topological Polar Surface Area (TPSA)7.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors1
Rotatable Bonds4
Exact Mass253.17047 Da
Heavy Atoms19
Complexity277.0
SMILESCC[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)C
InChIKeyVZWMLCVBIUHDKX-UHFFFAOYSA-N

Product Description

Applications: 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium (CAS 42457-53-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium (CAS 42457-53-4) is a pharmaceutical intermediate with the molecular formula C17H21N2+ and a molecular weight of 253.17 g/mol. It is also known as daspei and 2-(4-Dimethylaminostyryl)-1-ethylpyridinium.

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 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium

XLogP
3.7
TPSA (Topological Polar Surface Area)
7.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Rotatable Bonds
4
Heavy Atoms
19
Complexity
277.0
Exact Mass
253.17047
Monoisotopic Mass
253.17047
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-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium

The XLogP value of 3.7 indicates that 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.1 Ų, 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium has 0 hydrogen bond donor(s) and 1 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-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium?

The CAS number of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium is 42457-53-4.

What is the molecular formula of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium?

The molecular formula of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium is C17H21N2+.

What is the molecular weight of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium?

The molecular weight of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium is 253.17047 g/mol.

What are the applications of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium?

2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...

Where can I buy 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium?

You can request a quote for 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium?

Yes, CoreyChem provides custom synthesis services for 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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