Trans-flupenthixol
TL;DR: Trans-flupenthixol (CAS 51529-02-3) is a chemical compound with molecular formula C23H25F3N2OS and molecular weight 434.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
Also Known As: Flupentixol, FLUPENTHIXOL, trans-flupenthixol, trans-Flupentixol, beta-Flupenthixol
| Molecular Formula | C23H25F3N2OS |
|---|---|
| Molecular Weight | 434.16 g/mol |
| LogP | 4.6017 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.16397 |
| Heavy Atoms | 30 |
| Complexity | 920.9045 |
Chemical Identifiers
| CAS Number | 51529-02-3 |
|---|---|
| SMILES | C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO |
Product Overview
Trans-flupenthixol (CAS 51529-02-3), with molecular formula C23H25F3N2OS and molecular weight 434.16 g/mol. IUPAC: 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol.
Chemical Property Profile of Trans-flupenthixol
Property Insights of Trans-flupenthixol
The XLogP value of 4.6017 indicates that Trans-flupenthixol 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-flupenthixol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trans-flupenthixol 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-flupenthixol?
The CAS number of Trans-flupenthixol is 51529-02-3.
What is the molecular formula of Trans-flupenthixol?
The molecular formula of Trans-flupenthixol is C23H25F3N2OS.
What is the molecular weight of Trans-flupenthixol?
The molecular weight of Trans-flupenthixol is 434.16 g/mol.
Where can I buy Trans-flupenthixol?
You can request a quote for Trans-flupenthixol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trans-flupenthixol?
Yes, KEHONG BIO provides custom synthesis services for Trans-flupenthixol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.