((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione
TL;DR: ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione (CAS 431912-08-2) 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-(4-methylphenyl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide
Also Known As: ((4-METHYLPHENYL)AMINO)(4-(3-PHENYLPROP-2-ENYL)PIPERAZINYL)METHANE-1-THIONE, N-(4-methylphenyl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide, 4-cinnamyl-N-(p-tolyl)piperazine-1-carbothioamide, AO-990/40919428, N-(4-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 | 701.68085 |
Chemical Identifiers
| CAS Number | 431912-08-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3 |
Product Overview
((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione (CAS 431912-08-2), with molecular formula C21H25N3S and molecular weight 351.18 g/mol. IUPAC: N-(4-methylphenyl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide.
Chemical Property Profile of ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione
Property Insights of ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione
The XLogP value of 4.02282 indicates that ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione 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 ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione?
The CAS number of ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione is 431912-08-2.
What is the molecular formula of ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione?
The molecular formula of ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione is C21H25N3S.
What is the molecular weight of ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione?
The molecular weight of ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione is 351.18 g/mol.
Where can I buy ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione?
You can request a quote for ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for ((4-Methylphenyl)amino)(4-(3-phenylprop-2-enyl)piperazinyl)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.