Trifluthepin maleate
TL;DR: Trifluthepin maleate (CAS 24495-46-3) is a chemical compound with molecular formula C24H25F3N2O4S and molecular weight 494.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Also Known As: Trifluthepin maleate, 8-Trifluoromethyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, Piperazine, 1-(10,11-dihydro-8-(trifluoromethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1), (E)-but-2-enedioic acid; 1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, Piperazine, 1-[10,11-dihydro-8-(5-fluoromethyl)dibenzo[b,f]thiepin-10-yl]-4-methyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C24H25F3N2O4S |
|---|---|
| Molecular Weight | 494.15 g/mol |
| LogP | 4.413 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 494.1487 |
| Heavy Atoms | 34 |
| Complexity | 1050.4238 |
Chemical Identifiers
| CAS Number | 24495-46-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
Trifluthepin maleate (CAS 24495-46-3), with molecular formula C24H25F3N2O4S and molecular weight 494.15 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine.
Chemical Property Profile of Trifluthepin maleate
Property Insights of Trifluthepin maleate
The XLogP value of 4.413 indicates that Trifluthepin maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Trifluthepin maleate. Following Lipinski's Rule of Five, Trifluthepin maleate has 2 hydrogen bond donor(s) and 5 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 Trifluthepin maleate?
The CAS number of Trifluthepin maleate is 24495-46-3.
What is the molecular formula of Trifluthepin maleate?
The molecular formula of Trifluthepin maleate is C24H25F3N2O4S.
What is the molecular weight of Trifluthepin maleate?
The molecular weight of Trifluthepin maleate is 494.15 g/mol.
Where can I buy Trifluthepin maleate?
You can request a quote for Trifluthepin maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluthepin maleate?
Yes, KEHONG BIO provides custom synthesis services for Trifluthepin maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.