![N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide structure](/static/products/431/431072-50-3.png)
N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
TL;DR: N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide (CAS 431072-50-3) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
Also Known As: AB00114726-01, 4-cinnamyl-N-(4-nitrophenyl)piperazine-1-carbothioamide, N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide, N-(4-nitrophenyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbothioamide
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.6226 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 800.4912 |
Chemical Identifiers
| CAS Number | 431072-50-3 |
|---|---|
| SMILES | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide (CAS 431072-50-3), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
Property Insights of N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
The XLogP value of 3.6226 indicates that N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?
The CAS number of N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is 431072-50-3.
What is the molecular formula of N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?
The molecular formula of N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is C20H22N4O2S.
What is the molecular weight of N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?
The molecular weight of N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is 382.15 g/mol.
Where can I buy N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?
You can request a quote for N-(4-nitrophenyl)-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-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.