9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol
TL;DR: 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol (CAS 2340-57-0) is a chemical compound with molecular formula C19H20F3NOS and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)thioxanthen-9-ol
Also Known As: Flupentixol EP Impurity A, 9-[3- propyl]-2- thioxanthen-9-ol, Flupentixol EP Impurity A Enantiomer, 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol, Flupentixol EP Impurity A (Free Base)
| Molecular Formula | C19H20F3NOS |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.12177 |
| Heavy Atoms | 25 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 2340-57-0 |
|---|---|
| SMILES | CN(C)CCCC1(C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F)O |
| InChIKey | QWIVUCLTMDQHOY-UHFFFAOYSA-N |
Product Overview
9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol (CAS 2340-57-0), with molecular formula C19H20F3NOS and molecular weight 367.12 g/mol. IUPAC: 9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)thioxanthen-9-ol.
Chemical Property Profile of 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol
Property Insights of 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol
The XLogP value of 4.3 indicates that 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.8 Ų, 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol has 1 hydrogen bond donor(s) and 6 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 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol?
The CAS number of 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol is 2340-57-0.
What is the molecular formula of 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol?
The molecular formula of 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol is C19H20F3NOS.
What is the molecular weight of 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol?
The molecular weight of 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol is 367.12 g/mol.
Where can I buy 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol?
You can request a quote for 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)thioxanthen-9-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.