Clopenthixol dihydrochloride
TL;DR: Clopenthixol dihydrochloride (CAS 633-59-0) is a chemical compound with molecular formula C22H27Cl3N2OS and molecular weight 472.09 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;dihydrochloride
Also Known As: beta-Clopenthixol HCl, Clopenthixol dihydrochloride, alpha-Clopenthixol dihydrochloride, trans-Clopenthixol hydrochloride, beta-Clopenthixol dihydrochloride
| Molecular Formula | C22H27Cl3N2OS |
|---|---|
| Molecular Weight | 472.09 g/mol |
| LogP | 5.08 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.09097 |
| Heavy Atoms | 29 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 633-59-0 |
|---|---|
| SMILES | C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl |
| InChIKey | LPWNZMIBFHMYMX-UHFFFAOYSA-N |
Product Overview
Clopenthixol dihydrochloride (CAS 633-59-0), with molecular formula C22H27Cl3N2OS and molecular weight 472.09 g/mol. IUPAC: 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of Clopenthixol dihydrochloride
Property Insights of Clopenthixol dihydrochloride
The XLogP value of 5.08 indicates that Clopenthixol dihydrochloride 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 dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clopenthixol dihydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clopenthixol dihydrochloride?
The CAS number of Clopenthixol dihydrochloride is 633-59-0.
What is the molecular formula of Clopenthixol dihydrochloride?
The molecular formula of Clopenthixol dihydrochloride is C22H27Cl3N2OS.
What is the molecular weight of Clopenthixol dihydrochloride?
The molecular weight of Clopenthixol dihydrochloride is 472.09 g/mol.
Where can I buy Clopenthixol dihydrochloride?
You can request a quote for Clopenthixol dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clopenthixol dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Clopenthixol dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.