N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide structure

N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

TL;DR: N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide (CAS 516458-52-9) is a chemical compound with molecular formula C26H28N4S and molecular weight 428.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

Also Known As: N-(4-anilinophenyl)-4-cinnamyl-piperazine-1-carbothioamide, N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide, [4-((2E)-3-phenylprop-2-enyl)piperazinyl]{[4-(phenylamino)phenyl]amino}methane -1-thione, N-[4-(phenylamino)phenyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbothioamide, N-(4-ANILINOPHENYL)-4-[(E)-3-PHENYL-2-PROPENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE

CAS: 516458-52-9
Molecular Formula C26H28N4S
Molecular Weight 428.20 g/mol
LogP 5.458
Topological Polar Surface Area 30.54 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 6
Exact Mass 428.20346
Heavy Atoms 31
Complexity 978.9351

Chemical Identifiers

CAS Number 516458-52-9
SMILES C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4

Product Overview

N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide (CAS 516458-52-9), with molecular formula C26H28N4S and molecular weight 428.20 g/mol. IUPAC: N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

XLogP
5.458
TPSA (Topological Polar Surface Area)
30.54
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
6
Heavy Atoms
31
Complexity
978.9351
Exact Mass
428.20346
Monoisotopic Mass
428.20346
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 N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

The XLogP value of 5.458 indicates that N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.54 Ų, N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?

The CAS number of N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is 516458-52-9.

What is the molecular formula of N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?

The molecular formula of N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is C26H28N4S.

What is the molecular weight of N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?

The molecular weight of N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is 428.20 g/mol.

Where can I buy N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?

You can request a quote for N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?

Yes, KEHONG BIO provides custom synthesis services for N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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