N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
TL;DR: N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide (CAS 706777-97-1) is a chemical compound with molecular formula C16H16BrClN4S and molecular weight 410.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
Also Known As: N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide, [(4-bromo-2-chlorophenyl)amino](4-(2-pyridyl)piperazinyl)methane-1-thione, N-(4-bromo-2-chloro-phenyl)-4-pyridin-2-yl-piperazine-1-carbothioamide, N-(4-bromo-2-chlorophenyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
| Molecular Formula | C16H16BrClN4S |
|---|---|
| Molecular Weight | 410.00 g/mol |
| LogP | 4.0165 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.99677 |
| Heavy Atoms | 23 |
| Complexity | 689.7345 |
Chemical Identifiers
| CAS Number | 706777-97-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=C(C=C(C=C3)Br)Cl |
Product Overview
N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide (CAS 706777-97-1), with molecular formula C16H16BrClN4S and molecular weight 410.00 g/mol. IUPAC: N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
Property Insights of N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
The XLogP value of 4.0165 indicates that N-(4-bromo-2-chlorophenyl)-4-pyridin-2-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, N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromo-2-chlorophenyl)-4-pyridin-2-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 N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide?
The CAS number of N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide is 706777-97-1.
What is the molecular formula of N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide?
The molecular formula of N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide is C16H16BrClN4S.
What is the molecular weight of N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide?
The molecular weight of N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide is 410.00 g/mol.
Where can I buy N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide?
You can request a quote for N-(4-bromo-2-chlorophenyl)-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-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-2-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.