Tebufelone
TL;DR: Tebufelone (CAS 112018-00-5) is a chemical compound with molecular formula C20H28O2 and molecular weight 300.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-ditert-butyl-4-hydroxyphenyl)hex-5-yn-1-one
Also Known As: Tebufelone, Tebufelona, Tebufelonum, Tebufelona [INN-Spanish], Tebufelone [USAN:INN]
| Molecular Formula | C20H28O2 |
|---|---|
| Molecular Weight | 300.21 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.20892 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 112018-00-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CCCC#C |
| InChIKey | ZHXUEUKVDMWSKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tebufelone (CAS 112018-00-5), with molecular formula C20H28O2 and molecular weight 300.21 g/mol. IUPAC: 1-(3,5-ditert-butyl-4-hydroxyphenyl)hex-5-yn-1-one.
Chemical Property Profile of Tebufelone
Property Insights of Tebufelone
The XLogP value of 5.5 indicates that Tebufelone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Tebufelone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tebufelone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tebufelone?
The CAS number of Tebufelone is 112018-00-5.
What is the molecular formula of Tebufelone?
The molecular formula of Tebufelone is C20H28O2.
What is the molecular weight of Tebufelone?
The molecular weight of Tebufelone is 300.21 g/mol.
Where can I buy Tebufelone?
You can request a quote for Tebufelone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tebufelone?
Yes, KEHONG BIO provides custom synthesis services for Tebufelone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.