![1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine structure](/static/products/4288/428852-63-5.webp)
1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
TL;DR: 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine (CAS 428852-63-5) is a chemical compound with molecular formula C18H21BrN2O2S and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-bromophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
Also Known As: BAS 01376035, 1-(3-bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine, 1-[(3-bromophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine, AT-057/40720063, 1-(3-Bromo-benzyl)-4-(toluene-4-sulfonyl)-piperazine
| Molecular Formula | C18H21BrN2O2S |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 3.26402 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.05072 |
| Heavy Atoms | 24 |
| Complexity | 798.0234 |
Chemical Identifiers
| CAS Number | 428852-63-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br |
Product Overview
1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine (CAS 428852-63-5), with molecular formula C18H21BrN2O2S and molecular weight 408.05 g/mol. IUPAC: 1-[(3-bromophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
Property Insights of 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
The XLogP value of 3.26402 indicates that 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine has 0 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 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine?
The CAS number of 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine is 428852-63-5.
What is the molecular formula of 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine?
The molecular formula of 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine is C18H21BrN2O2S.
What is the molecular weight of 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine?
The molecular weight of 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine is 408.05 g/mol.
Where can I buy 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine?
You can request a quote for 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.