[4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone structure

[4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone

TL;DR: [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone (CAS 430454-46-9) is a chemical compound with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone

Also Known As: AB00112655-01, 1-benzoyl-4-{3-(cyclopropylamino)-4-nitrophenyl}piperazine, A3007/0126708, [4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone, 5-(4-BENZOYLPIPERAZIN-1-YL)-N-CYCLOPROPYL-2-NITROANILINE

CAS: 430454-46-9
Molecular Formula C20H22N4O3
Molecular Weight 366.17 g/mol
LogP 3.1315
Topological Polar Surface Area 78.72 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 366.1692
Heavy Atoms 27
Complexity 843.56024

Chemical Identifiers

CAS Number 430454-46-9
SMILES C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Product Overview

[4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone (CAS 430454-46-9), with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol. IUPAC: [4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone.

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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 [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone

XLogP
3.1315
TPSA (Topological Polar Surface Area)
78.72
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
5
Heavy Atoms
27
Complexity
843.56024
Exact Mass
366.1692
Monoisotopic Mass
366.1692
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 [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone

The XLogP value of 3.1315 indicates that [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone. Following Lipinski's Rule of Five, [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

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 [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone?

The CAS number of [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone is 430454-46-9.

What is the molecular formula of [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone?

The molecular formula of [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone is C20H22N4O3.

What is the molecular weight of [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone?

The molecular weight of [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone is 366.17 g/mol.

Where can I buy [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone?

You can request a quote for [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone?

Yes, KEHONG BIO provides custom synthesis services for [4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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