N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide
TL;DR: N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide (CAS 701924-69-8) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide
Also Known As: N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide, 1-acetyl-3-({[4-(2-ethoxyphenyl)piperazinyl]thioxomethyl}amino)benzene
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 3.8069 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 816.5789 |
Chemical Identifiers
| CAS Number | 701924-69-8 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C |
Product Overview
N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide (CAS 701924-69-8), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide
Property Insights of N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide
The XLogP value of 3.8069 indicates that N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-acetylphenyl)-4-(2-ethoxyphenyl)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-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide?
The CAS number of N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide is 701924-69-8.
What is the molecular formula of N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide?
The molecular formula of N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide is C21H25N3O2S.
What is the molecular weight of N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide?
The molecular weight of N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide is 383.17 g/mol.
Where can I buy N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide?
You can request a quote for N-(3-acetylphenyl)-4-(2-ethoxyphenyl)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-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-acetylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.