Antrafenine
TL;DR: Antrafenine (CAS 55300-29-3) is a chemical compound with molecular formula C30H26F6N4O2 and molecular weight 588.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate
Also Known As: Antrafenine, Stakane, Antrafeninum, Stakan, antrafenina
| Molecular Formula | C30H26F6N4O2 |
|---|---|
| Molecular Weight | 588.20 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.196 |
| Heavy Atoms | 42 |
| Complexity | 881.0 |
| Melting Point | 88-90 |
| Solubility | 2.84e-03 g/L |
Chemical Identifiers
| CAS Number | 55300-29-3 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)C5=CC=CC(=C5)C(F)(F)F |
| InChIKey | NWGGKKGAFZIVBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Antrafenine (CAS 55300-29-3), with molecular formula C30H26F6N4O2 and molecular weight 588.20 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate.
Chemical Property Profile of Antrafenine
Property Insights of Antrafenine
The XLogP value of 7.5 indicates that Antrafenine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Antrafenine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Antrafenine has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antrafenine?
The CAS number of Antrafenine is 55300-29-3.
What is the molecular formula of Antrafenine?
The molecular formula of Antrafenine is C30H26F6N4O2.
What is the molecular weight of Antrafenine?
The molecular weight of Antrafenine is 588.20 g/mol.
Where can I buy Antrafenine?
You can request a quote for Antrafenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antrafenine?
Yes, KEHONG BIO provides custom synthesis services for Antrafenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.