N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
TL;DR: N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide (CAS 708234-38-2) is a chemical compound with molecular formula C18H20N4OS and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
Also Known As: N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide, N-(3-acetylphenyl)-4-pyridin-2-yl-piperazine-1-carbothioamide, 1-acetyl-3-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}benzene, N-(3-acetylphenyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
| Molecular Formula | C18H20N4OS |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 2.8032 |
| Topological Polar Surface Area | 48.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.13577 |
| Heavy Atoms | 24 |
| Complexity | 726.8084 |
Chemical Identifiers
| CAS Number | 708234-38-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3 |
Product Overview
N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide (CAS 708234-38-2), with molecular formula C18H20N4OS and molecular weight 340.14 g/mol. IUPAC: N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
Property Insights of N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
The XLogP value of 2.8032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 48.47 Ų, N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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-pyridin-2-ylpiperazine-1-carbothioamide?
The CAS number of N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide is 708234-38-2.
What is the molecular formula of N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide?
The molecular formula of N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide is C18H20N4OS.
What is the molecular weight of N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide?
The molecular weight of N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide is 340.14 g/mol.
Where can I buy N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide?
You can request a quote for N-(3-acetylphenyl)-4-pyridin-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-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-acetylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.