N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide
TL;DR: N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide (CAS 708222-12-2) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide
Also Known As: N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide, N-(3-acetylphenyl)-4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamide, 1-acetyl-3-({[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]thioxometh yl}amino)benzene
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.1325 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 894.2146 |
Chemical Identifiers
| CAS Number | 708222-12-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide (CAS 708222-12-2), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide
Property Insights of N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide
The XLogP value of 3.1325 indicates that N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide 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
Frequently Asked Questions
What is the CAS number of N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide?
The CAS number of N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide is 708222-12-2.
What is the molecular formula of N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide?
The molecular formula of N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide is C21H23N3O3S.
What is the molecular weight of N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide?
The molecular weight of N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide is 397.15 g/mol.
Where can I buy N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide?
You can request a quote for N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)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-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.