![N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide structure](/static/products/4318/431891-54-2.webp)
N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
TL;DR: N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide (CAS 431891-54-2) is a chemical compound with molecular formula C21H25N3S and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
Also Known As: AB00115658-01, 4-cinnamyl-N-(3-methylphenyl)piperazine-1-carbothioamide, N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide, N-(3-methylphenyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbothioamide
| Molecular Formula | C21H25N3S |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 4.02282 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.1769 |
| Heavy Atoms | 25 |
| Complexity | 718.93085 |
Chemical Identifiers
| CAS Number | 431891-54-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3 |
Product Overview
N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide (CAS 431891-54-2), with molecular formula C21H25N3S and molecular weight 351.18 g/mol. IUPAC: N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
Property Insights of N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
The XLogP value of 4.02282 indicates that N-(3-methylphenyl)-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 18.51 Ų, N-(3-methylphenyl)-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-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?
The CAS number of N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is 431891-54-2.
What is the molecular formula of N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?
The molecular formula of N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is C21H25N3S.
What is the molecular weight of N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?
The molecular weight of N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is 351.18 g/mol.
Where can I buy N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?
You can request a quote for N-(3-methylphenyl)-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-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.