![(4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione structure](/static/products/4978/497865-46-0.webp)
(4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione
TL;DR: (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione (CAS 497865-46-0) is a chemical compound with molecular formula C13H17BrN2OS and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione
Also Known As: (4-bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione, 2-{4-[(4-bromophenyl)carbonothioyl]-1-piperazinyl}ethanol, (4-bromophenyl)(4-(2-hydroxyethyl)piperazin-1-yl)methanethione, (4-bromophenyl)-[4-(2-hydroxyethyl)piperazino]methanethione, (4-bromophenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanethione
| Molecular Formula | C13H17BrN2OS |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 1.7345 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0245 |
| Heavy Atoms | 18 |
| Complexity | 401.9572 |
Chemical Identifiers
| CAS Number | 497865-46-0 |
|---|---|
| SMILES | C1CN(CCN1CCO)C(=S)C2=CC=C(C=C2)Br |
Product Overview
(4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione (CAS 497865-46-0), with molecular formula C13H17BrN2OS and molecular weight 328.02 g/mol. IUPAC: (4-bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione.
Chemical Property Profile of (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione
Property Insights of (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione
The XLogP value of 1.7345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione. With a topological polar surface area (TPSA) of 26.71 Ų, (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione 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 (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione?
The CAS number of (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione is 497865-46-0.
What is the molecular formula of (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione?
The molecular formula of (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione is C13H17BrN2OS.
What is the molecular weight of (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione?
The molecular weight of (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione is 328.02 g/mol.
Where can I buy (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione?
You can request a quote for (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.