N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
TL;DR: N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 879475-32-8) is a chemical compound with molecular formula C17H19N5OS and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Also Known As: N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide, N-(4-acetylphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide, 1-acetyl-4-{[(4-pyrimidin-2-ylpiperazinyl)thioxomethyl]amino}benzene, N-(4-ACETYLPHENYL)-4-(2-PYRIMIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C17H19N5OS |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 2.1982 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.13104 |
| Heavy Atoms | 24 |
| Complexity | 711.52057 |
Chemical Identifiers
| CAS Number | 879475-32-8 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3 |
Product Overview
N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide (CAS 879475-32-8), with molecular formula C17H19N5OS and molecular weight 341.13 g/mol. IUPAC: N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
Property Insights of N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
The XLogP value of 2.1982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-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-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The CAS number of N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 879475-32-8.
What is the molecular formula of N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular formula of N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is C17H19N5OS.
What is the molecular weight of N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
The molecular weight of N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide is 341.13 g/mol.
Where can I buy N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
You can request a quote for N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-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-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.