1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine
TL;DR: 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine (CAS 462601-45-2) is a chemical compound with molecular formula C17H19BrN2O2S and molecular weight 394.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-[(3-bromophenyl)methyl]piperazine
Also Known As: 1-(3-bromobenzyl)-4-(phenylsulfonyl)piperazine, BAS 01376349, 1-(benzenesulfonyl)-4-[(3-bromophenyl)methyl]piperazine, 1-Benzenesulfonyl-4-(3-bromo-benzyl)-piperazine, 4-[(3-bromophenyl)methyl]-1-(phenylsulfonyl)piperazine
| Molecular Formula | C17H19BrN2O2S |
|---|---|
| Molecular Weight | 394.04 g/mol |
| LogP | 2.9556 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.03506 |
| Heavy Atoms | 23 |
| Complexity | 757.17267 |
Chemical Identifiers
| CAS Number | 462601-45-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine (CAS 462601-45-2), with molecular formula C17H19BrN2O2S and molecular weight 394.04 g/mol. IUPAC: 1-(benzenesulfonyl)-4-[(3-bromophenyl)methyl]piperazine.
Chemical Property Profile of 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine
Property Insights of 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine
The XLogP value of 2.9556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromobenzyl)-4-(phenylsulfonyl)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-(phenylsulfonyl)piperazine?
The CAS number of 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine is 462601-45-2.
What is the molecular formula of 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine?
The molecular formula of 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine is C17H19BrN2O2S.
What is the molecular weight of 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine?
The molecular weight of 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine is 394.04 g/mol.
Where can I buy 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine?
You can request a quote for 1-(3-Bromobenzyl)-4-(phenylsulfonyl)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-(phenylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromobenzyl)-4-(phenylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.