Trepibutone
TL;DR: Trepibutone (CAS 41826-92-0) is a chemical compound with molecular formula C16H22O6 and molecular weight 310.14163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
Also Known As: trepibutone, Supacal, Colibil, Trepibutonum, Trepibuton
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H22O6 |
| Molecular Weight | 310.14163 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 310.14163 Da |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
| SMILES | CCOC1=CC(=C(C=C1C(=O)CCC(=O)O)OCC)OCC |
| InChIKey | YPTFHLJNWSJXKG-UHFFFAOYSA-N |
Product Description
Applications: Trepibutone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Trepibutone is a pharmaceutical intermediate identified by CAS number 41826-92-0 and the molecular formula C16H22O6 and a molecular weight of 310.14 g/mol. Synonyms include trepibutone and Supacal.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Trepibutone
Property Insights of Trepibutone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trepibutone. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Trepibutone. Following Lipinski's Rule of Five, Trepibutone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trepibutone?
The CAS number of Trepibutone is 41826-92-0.
What is the molecular formula of Trepibutone?
The molecular formula of Trepibutone is C16H22O6.
What is the molecular weight of Trepibutone?
The molecular weight of Trepibutone is 310.14163 g/mol.
What are the applications of Trepibutone?
Trepibutone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Trepibutone?
You can request a quote for Trepibutone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trepibutone?
Yes, CoreyChem provides custom synthesis services for Trepibutone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.