N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide
TL;DR: N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide (CAS 792961-35-4) is a chemical compound with molecular formula C18H18BrCl2N3O2S2 and molecular weight 520.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine-1-carbothioamide
Also Known As: N-benzyl-4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine-1-carbothioamide, N-BENZYL-4-(4-BROMO-2,6-DICHLOROBENZENESULFONYL)PIPERAZINE-1-CARBOTHIOAMIDE
| Molecular Formula | C18H18BrCl2N3O2S2 |
|---|---|
| Molecular Weight | 520.94 g/mol |
| LogP | 4.1369 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.94006 |
| Heavy Atoms | 28 |
| Complexity | 943.046 |
Chemical Identifiers
| CAS Number | 792961-35-4 |
|---|---|
| SMILES | C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3Cl)Br)Cl |
Product Overview
N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide (CAS 792961-35-4), with molecular formula C18H18BrCl2N3O2S2 and molecular weight 520.94 g/mol. IUPAC: N-benzyl-4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine-1-carbothioamide.
Chemical Property Profile of N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide
Property Insights of N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide
The XLogP value of 4.1369 indicates that N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide?
The CAS number of N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide is 792961-35-4.
What is the molecular formula of N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide?
The molecular formula of N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide is C18H18BrCl2N3O2S2.
What is the molecular weight of N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide?
The molecular weight of N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide is 520.94 g/mol.
Where can I buy N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide?
You can request a quote for N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)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-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-4-(4-bromo-2,6-dichlorobenzenesulfonyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.