N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
TL;DR: N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide (CAS 454445-83-1) is a chemical compound with molecular formula C18H22N4S and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-phenylethyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
Also Known As: AJ-292/41694446, N-(2-phenylethyl)-4-pyridin-2-ylpiperazine-1-carbothioamide, N-phenethyl-4-pyridin-2-ylpiperazine-1-carbothioamide, N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide, N-phenethyl-4-pyridin-2-yl-piperazine-1-carbothioamide
| Molecular Formula | C18H22N4S |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 2.3208 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.15652 |
| Heavy Atoms | 23 |
| Complexity | 609.4334 |
Chemical Identifiers
| CAS Number | 454445-83-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=S)NCCC3=CC=CC=C3 |
Product Overview
N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide (CAS 454445-83-1), with molecular formula C18H22N4S and molecular weight 326.16 g/mol. IUPAC: N-(2-phenylethyl)-4-pyridin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
Property Insights of N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
The XLogP value of 2.3208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 31.4 Ų, N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 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-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide?
The CAS number of N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide is 454445-83-1.
What is the molecular formula of N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide?
The molecular formula of N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide is C18H22N4S.
What is the molecular weight of N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide?
The molecular weight of N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide is 326.16 g/mol.
Where can I buy N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide?
You can request a quote for N-(2-phenylethyl)-4-(pyridin-2-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 N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-phenylethyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.