4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide
TL;DR: 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide (CAS 455316-77-5) is a chemical compound with molecular formula C16H17ClN4S and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide
Also Known As: 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide, 4-(2-chlorophenyl)-N-(pyridin-3-yl)piperazine-1-carbothioamide
| Molecular Formula | C16H17ClN4S |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 3.254 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.08624 |
| Heavy Atoms | 22 |
| Complexity | 641.6039 |
Chemical Identifiers
| CAS Number | 455316-77-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2Cl)C(=S)NC3=CN=CC=C3 |
Product Overview
4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide (CAS 455316-77-5), with molecular formula C16H17ClN4S and molecular weight 332.09 g/mol. IUPAC: 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide
Property Insights of 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide
The XLogP value of 3.254 indicates that 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-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 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide?
The CAS number of 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide is 455316-77-5.
What is the molecular formula of 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide?
The molecular formula of 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide is C16H17ClN4S.
What is the molecular weight of 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide?
The molecular weight of 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide is 332.09 g/mol.
Where can I buy 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide?
You can request a quote for 4-(2-chlorophenyl)-N-pyridin-3-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 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chlorophenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.