Clopenthixol
TL;DR: Clopenthixol (CAS 982-24-1) is a chemical compound with molecular formula C22H25ClN2OS and molecular weight 400.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
Also Known As: Zuclopenthixol, CLOPENTHIXOL, Sordinol, Chlorpenthixol, Clopentixol
| Molecular Formula | C22H25ClN2OS |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1376 |
| Heavy Atoms | 27 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 982-24-1 |
|---|---|
| SMILES | C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO |
| InChIKey | WFPIAZLQTJBIFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clopenthixol (CAS 982-24-1), with molecular formula C22H25ClN2OS and molecular weight 400.14 g/mol. IUPAC: 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol.
Chemical Property Profile of Clopenthixol
Property Insights of Clopenthixol
The XLogP value of 4.3 indicates that Clopenthixol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, Clopenthixol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clopenthixol 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 Clopenthixol?
The CAS number of Clopenthixol is 982-24-1.
What is the molecular formula of Clopenthixol?
The molecular formula of Clopenthixol is C22H25ClN2OS.
What is the molecular weight of Clopenthixol?
The molecular weight of Clopenthixol is 400.14 g/mol.
Where can I buy Clopenthixol?
You can request a quote for Clopenthixol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clopenthixol?
Yes, KEHONG BIO provides custom synthesis services for Clopenthixol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.