N-Desmethyl trifluoperazine
TL;DR: N-Desmethyl trifluoperazine (CAS 1246814-84-5) is a chemical compound with molecular formula C20H22F3N3S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine
Also Known As: Demethyltrifluoperazine, N-Desmethyl Trifluoperazine, Fluphenazine N-deshydroxyethyl, FLUPHENAZINE_met005, Trifluoperazine N-desmethyl impurity
| Molecular Formula | C20H22F3N3S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.14865 |
| Heavy Atoms | 27 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 1246814-84-5 |
|---|---|
| SMILES | C1CN(CCN1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F |
| InChIKey | VYYRFBRPGFAPCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Desmethyl trifluoperazine (CAS 1246814-84-5), with molecular formula C20H22F3N3S and molecular weight 393.15 g/mol. IUPAC: 10-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine.
Chemical Property Profile of N-Desmethyl trifluoperazine
Property Insights of N-Desmethyl trifluoperazine
The XLogP value of 4.6 indicates that N-Desmethyl trifluoperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, N-Desmethyl trifluoperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethyl trifluoperazine has 1 hydrogen bond donor(s) and 7 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 N-Desmethyl trifluoperazine?
The CAS number of N-Desmethyl trifluoperazine is 1246814-84-5.
What is the molecular formula of N-Desmethyl trifluoperazine?
The molecular formula of N-Desmethyl trifluoperazine is C20H22F3N3S.
What is the molecular weight of N-Desmethyl trifluoperazine?
The molecular weight of N-Desmethyl trifluoperazine is 393.15 g/mol.
Where can I buy N-Desmethyl trifluoperazine?
You can request a quote for N-Desmethyl trifluoperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyl trifluoperazine?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyl trifluoperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.