trans-Clopenthixol
TL;DR: trans-Clopenthixol (CAS 53772-84-2) 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-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
Also Known As: Zuclopenthixol, trans-Clopenthixol, Clopentixol, Chlorpenthixol, Clopenthixolum
| Molecular Formula | C22H25ClN2OS |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 4.2363 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1376 |
| Heavy Atoms | 27 |
| Complexity | 830.81256 |
Chemical Identifiers
| CAS Number | 53772-84-2 |
|---|---|
| SMILES | C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO |
Product Overview
trans-Clopenthixol (CAS 53772-84-2), with molecular formula C22H25ClN2OS and molecular weight 400.14 g/mol. IUPAC: 2-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol.
Chemical Property Profile of trans-Clopenthixol
Property Insights of trans-Clopenthixol
The XLogP value of 4.2363 indicates that trans-Clopenthixol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.71 Ų, trans-Clopenthixol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-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 trans-Clopenthixol?
The CAS number of trans-Clopenthixol is 53772-84-2.
What is the molecular formula of trans-Clopenthixol?
The molecular formula of trans-Clopenthixol is C22H25ClN2OS.
What is the molecular weight of trans-Clopenthixol?
The molecular weight of trans-Clopenthixol is 400.14 g/mol.
Where can I buy trans-Clopenthixol?
You can request a quote for trans-Clopenthixol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Clopenthixol?
Yes, KEHONG BIO provides custom synthesis services for trans-Clopenthixol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.