4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide
TL;DR: 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide (CAS 708237-18-7) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide
Also Known As: 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide, 1-acetyl-4-{4-[(2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)thioxomethyl]piperazinyl }benzene
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.1369 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 861.2757 |
Chemical Identifiers
| CAS Number | 708237-18-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4 |
Product Overview
4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide (CAS 708237-18-7), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide
Property Insights of 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide
The XLogP value of 3.1369 indicates that 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)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, 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)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 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide?
The CAS number of 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide is 708237-18-7.
What is the molecular formula of 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide?
The molecular formula of 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide is C20H21N3O3S.
What is the molecular weight of 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide?
The molecular weight of 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide is 383.13 g/mol.
Where can I buy 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide?
You can request a quote for 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)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 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.