![4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide structure](/static/products/5903/590358-47-7.webp)
4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide
TL;DR: 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide (CAS 590358-47-7) is a chemical compound with molecular formula C23H26N6O2S2 and molecular weight 482.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide
Also Known As: 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide, {[4-({[4-(2,3-dimethylphenyl)piperazinyl]thioxomethyl}amino)phenyl]sulfonyl}py rimidin-2-ylamine
| Molecular Formula | C23H26N6O2S2 |
|---|---|
| Molecular Weight | 482.16 g/mol |
| LogP | 3.41324 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.15585 |
| Heavy Atoms | 33 |
| Complexity | 1225.5663 |
Chemical Identifiers
| CAS Number | 590358-47-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C |
Product Overview
4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide (CAS 590358-47-7), with molecular formula C23H26N6O2S2 and molecular weight 482.16 g/mol. IUPAC: 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide
Property Insights of 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide
The XLogP value of 3.41324 indicates that 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide has 2 hydrogen bond donor(s) and 6 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-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide?
The CAS number of 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide is 590358-47-7.
What is the molecular formula of 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide?
The molecular formula of 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide is C23H26N6O2S2.
What is the molecular weight of 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide?
The molecular weight of 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide is 482.16 g/mol.
Where can I buy 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide?
You can request a quote for 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]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-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.