![N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide structure](/static/products/7067/706767-63-7.webp)
N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide
TL;DR: N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide (CAS 706767-63-7) is a chemical compound with molecular formula C19H21BrClN3OS and molecular weight 453.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide
Also Known As: N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide, N-(4-bromo-2-chlorophenyl)-4-(3-methoxybenzyl)piperazine-1-carbothioamide, [(4-bromo-2-chlorophenyl)amino]{4-[(3-methoxyphenyl)methyl]piperazinyl}methane -1-thione, N-(4-bromo-2-chloro-phenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide
| Molecular Formula | C19H21BrClN3OS |
|---|---|
| Molecular Weight | 453.03 g/mol |
| LogP | 4.6257 |
| Topological Polar Surface Area | 27.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.0277 |
| Heavy Atoms | 26 |
| Complexity | 781.1296 |
Chemical Identifiers
| CAS Number | 706767-63-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl |
Product Overview
N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide (CAS 706767-63-7), with molecular formula C19H21BrClN3OS and molecular weight 453.03 g/mol. IUPAC: N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide.
Chemical Property Profile of N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide
Property Insights of N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide
The XLogP value of 4.6257 indicates that N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.74 Ų, N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]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-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide?
The CAS number of N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide is 706767-63-7.
What is the molecular formula of N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide?
The molecular formula of N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide is C19H21BrClN3OS.
What is the molecular weight of N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide?
The molecular weight of N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide is 453.03 g/mol.
Where can I buy N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide?
You can request a quote for N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]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-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-2-chlorophenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.