三氟噻噸
TL;DR: 三氟噻噸 (CAS 53772-82-0) 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.
三氟噻噸
2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
Also Known As: Flupentixol, cis-Flupentixol, FLUPENTHIXOL, Fluxanxol, Fluanxol
| 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 | 53772-82-0 |
|---|---|
| SMILES | C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO |
Product Overview
三氟噻噸 (CAS 53772-82-0), with molecular formula C23H25F3N2OS and molecular weight 434.16 g/mol. IUPAC: 2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol.
Chemical Property Profile of 三氟噻噸
Property Insights of 三氟噻噸
The XLogP value of 4.6017 indicates that 三氟噻噸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.71 Ų, 三氟噻噸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氟噻噸 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 三氟噻噸?
The CAS number of 三氟噻噸 is 53772-82-0.
What is the molecular formula of 三氟噻噸?
The molecular formula of 三氟噻噸 is C23H25F3N2OS.
What is the molecular weight of 三氟噻噸?
The molecular weight of 三氟噻噸 is 434.16 g/mol.
Where can I buy 三氟噻噸?
You can request a quote for 三氟噻噸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟噻噸?
Yes, KEHONG BIO provides custom synthesis services for 三氟噻噸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.