三氟拉嗪
TL;DR: 三氟拉嗪 (CAS 117-89-5) is a chemical compound with molecular formula C21H24F3N3S and molecular weight 407.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟拉嗪
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
Also Known As: trifluoperazine, Trifluperazine, Trifluoroperazine, Trifluoperazin, Triperazine
| Molecular Formula | C21H24F3N3S |
|---|---|
| Molecular Weight | 407.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 35.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.1643 |
| Heavy Atoms | 28 |
| Complexity | 510.0 |
| Melting Point | Cream-colored, fine powder from absolute alcohol; MP: 242-243 °C; pH of 5% aq soln= 2.2, Hygroscopic /Dihydrochloride/ |
| Boiling Point | 202-210 °C @ 0.6 mm Hg |
| Solubility | 12.2 |
Chemical Identifiers
| CAS Number | 117-89-5 |
|---|---|
| SMILES | CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F |
| InChIKey | ZEWQUBUPAILYHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟拉嗪 (CAS 117-89-5), with molecular formula C21H24F3N3S and molecular weight 407.16 g/mol. IUPAC: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine.
Chemical Property Profile of 三氟拉嗪
Property Insights of 三氟拉嗪
The XLogP value of 5.0 indicates that 三氟拉嗪 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.0 Ų, 三氟拉嗪 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氟拉嗪 has 0 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 三氟拉嗪?
The CAS number of 三氟拉嗪 is 117-89-5.
What is the molecular formula of 三氟拉嗪?
The molecular formula of 三氟拉嗪 is C21H24F3N3S.
What is the molecular weight of 三氟拉嗪?
The molecular weight of 三氟拉嗪 is 407.16 g/mol.
Where can I buy 三氟拉嗪?
You can request a quote for 三氟拉嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟拉嗪?
Yes, KEHONG BIO provides custom synthesis services for 三氟拉嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.