4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
TL;DR: 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide (CAS 701972-45-4) is a chemical compound with molecular formula C19H22N4O3S2 and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
Also Known As: 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide, 4-({[4-(4-acetylphenyl)piperazinyl]thioxomethyl}amino)benzenesulfonamide
| Molecular Formula | C19H22N4O3S2 |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 2.0556 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.11334 |
| Heavy Atoms | 28 |
| Complexity | 965.2433 |
Chemical Identifiers
| CAS Number | 701972-45-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide (CAS 701972-45-4), with molecular formula C19H22N4O3S2 and molecular weight 418.11 g/mol. IUPAC: 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
Property Insights of 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
The XLogP value of 2.0556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide has 2 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-(4-sulfamoylphenyl)piperazine-1-carbothioamide?
The CAS number of 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide is 701972-45-4.
What is the molecular formula of 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide?
The molecular formula of 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide is C19H22N4O3S2.
What is the molecular weight of 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide?
The molecular weight of 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide is 418.11 g/mol.
Where can I buy 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide?
You can request a quote for 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)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-(4-sulfamoylphenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-acetylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.