Tefludazine
TL;DR: Tefludazine (CAS 80273-79-6) is a chemical compound with molecular formula C22H24F4N2O and molecular weight 408.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(1R,3S)-3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
Also Known As: Tefludazine, Tefludazina, Tefludazinum, Tefludazine [INN], Tefludazinum [Latin]
| Molecular Formula | C22H24F4N2O |
|---|---|
| Molecular Weight | 408.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.18246 |
| Heavy Atoms | 29 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 80273-79-6 |
|---|---|
| SMILES | C1CN(CCN1CCO)[C@@H]2C[C@H](C3=C2C=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)F |
| InChIKey | JSBWGXQXCRYYTG-PZJWPPBQSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tefludazine (CAS 80273-79-6), with molecular formula C22H24F4N2O and molecular weight 408.18 g/mol. IUPAC: 2-[4-[(1R,3S)-3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.
Chemical Property Profile of Tefludazine
Property Insights of Tefludazine
The XLogP value of 3.7 indicates that Tefludazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.7 Ų, Tefludazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tefludazine has 1 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 Tefludazine?
The CAS number of Tefludazine is 80273-79-6.
What is the molecular formula of Tefludazine?
The molecular formula of Tefludazine is C22H24F4N2O.
What is the molecular weight of Tefludazine?
The molecular weight of Tefludazine is 408.18 g/mol.
Where can I buy Tefludazine?
You can request a quote for Tefludazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tefludazine?
Yes, KEHONG BIO provides custom synthesis services for Tefludazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.