![2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol structure](/static/products/5001/500106-30-9.webp)
2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol
TL;DR: 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol (CAS 500106-30-9) is a chemical compound with molecular formula C13H17ClN2OS and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione
Also Known As: 2-[4-(4-chlorobenzothioyl)-1-piperazinyl]ethanol, SDCCGMLS-0017990.P002, (4-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione, AO-081/41965495, 2-{4-[(4-chlorophenyl)carbonothioyl]-1-piperazinyl}ethanol
| Molecular Formula | C13H17ClN2OS |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 1.6254 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.075 |
| Heavy Atoms | 18 |
| Complexity | 401.9572 |
Chemical Identifiers
| CAS Number | 500106-30-9 |
|---|---|
| SMILES | C1CN(CCN1CCO)C(=S)C2=CC=C(C=C2)Cl |
Product Overview
2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol (CAS 500106-30-9), with molecular formula C13H17ClN2OS and molecular weight 284.07 g/mol. IUPAC: (4-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione.
Chemical Property Profile of 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol
Property Insights of 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol
The XLogP value of 1.6254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol. With a topological polar surface area (TPSA) of 26.71 Ų, 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol 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 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol?
The CAS number of 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol is 500106-30-9.
What is the molecular formula of 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol?
The molecular formula of 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol is C13H17ClN2OS.
What is the molecular weight of 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol?
The molecular weight of 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol is 284.07 g/mol.
Where can I buy 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol?
You can request a quote for 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Chlorobenzothioyl)-1-piperazinyl]ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.