cis-(Z)-Flupentixol Dihydrochloride
TL;DR: cis-(Z)-Flupentixol Dihydrochloride (CAS 2413-38-9) is a chemical compound with molecular formula C23H27Cl2F3N2OS and molecular weight 506.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride
Also Known As: Emergil, Flupentixol, Flupentixol HCl, Flupenthixol dihydrochloride, cis-(Z)-Flupentixol Dihydrochloride
| Molecular Formula | C23H27Cl2F3N2OS |
|---|---|
| Molecular Weight | 506.12 g/mol |
| LogP | 5.45 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.1173 |
| Heavy Atoms | 32 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 2413-38-9 |
|---|---|
| SMILES | C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl |
| InChIKey | IOVDQEIIMOZNNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cis-(Z)-Flupentixol Dihydrochloride (CAS 2413-38-9), with molecular formula C23H27Cl2F3N2OS and molecular weight 506.12 g/mol. IUPAC: 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of cis-(Z)-Flupentixol Dihydrochloride
Property Insights of cis-(Z)-Flupentixol Dihydrochloride
The XLogP value of 5.45 indicates that cis-(Z)-Flupentixol 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, cis-(Z)-Flupentixol Dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-(Z)-Flupentixol Dihydrochloride has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of cis-(Z)-Flupentixol Dihydrochloride?
The CAS number of cis-(Z)-Flupentixol Dihydrochloride is 2413-38-9.
What is the molecular formula of cis-(Z)-Flupentixol Dihydrochloride?
The molecular formula of cis-(Z)-Flupentixol Dihydrochloride is C23H27Cl2F3N2OS.
What is the molecular weight of cis-(Z)-Flupentixol Dihydrochloride?
The molecular weight of cis-(Z)-Flupentixol Dihydrochloride is 506.12 g/mol.
Where can I buy cis-(Z)-Flupentixol Dihydrochloride?
You can request a quote for cis-(Z)-Flupentixol Dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-(Z)-Flupentixol Dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for cis-(Z)-Flupentixol Dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.