![4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol structure](/static/products/3337/333758-10-4.webp)
4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol
TL;DR: 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol (CAS 333758-10-4) is a chemical compound with molecular formula C17H19BrN2O3S and molecular weight 410.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-bromophenol
Also Known As: BAS 03050890, AB00102861-01, 4-bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol, 2-(4-Benzenesulfonyl-piperazin-1-ylmethyl)-4-bromo-phenol, 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-bromophenol
| Molecular Formula | C17H19BrN2O3S |
|---|---|
| Molecular Weight | 410.03 g/mol |
| LogP | 2.6612 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.02997 |
| Heavy Atoms | 24 |
| Complexity | 803.8403 |
Chemical Identifiers
| CAS Number | 333758-10-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=C(C=CC(=C2)Br)O)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol (CAS 333758-10-4), with molecular formula C17H19BrN2O3S and molecular weight 410.03 g/mol. IUPAC: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-bromophenol.
Chemical Property Profile of 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol
Property Insights of 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol
The XLogP value of 2.6612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol. Following Lipinski's Rule of Five, 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol has 1 hydrogen bond donor(s) and 4 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 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol?
The CAS number of 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol is 333758-10-4.
What is the molecular formula of 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol?
The molecular formula of 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol is C17H19BrN2O3S.
What is the molecular weight of 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol?
The molecular weight of 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol is 410.03 g/mol.
Where can I buy 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol?
You can request a quote for 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.