Docebenone
TL;DR: Docebenone (CAS 80809-81-0) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.1882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Also Known As: Docebenona, Docebenonum, Docembenone, Docetaxel trihydrate, Docebenone [USAN:INN]
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H26O3 |
| Molecular Weight | 326.1882 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1882 Da |
| Heavy Atoms | 24 |
| Complexity | 692.0 |
| SMILES | CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C |
| InChIKey | WDEABJKSGGRCQA-UHFFFAOYSA-N |
Product Description
Applications: Docebenone 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).
A pharmaceutical intermediate supplied by CoreyChem, Docebenone (CAS 80809-81-0) has the molecular formula C21H26O3 and a molecular weight of 326.19 g/mol. Synonyms include aa-861 and Docebenona.
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 Docebenone
Property Insights of Docebenone
The XLogP value of 3.9 indicates that Docebenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Docebenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Docebenone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Docebenone?
The CAS number of Docebenone is 80809-81-0.
What is the molecular formula of Docebenone?
The molecular formula of Docebenone is C21H26O3.
What is the molecular weight of Docebenone?
The molecular weight of Docebenone is 326.1882 g/mol.
What are the applications of Docebenone?
Docebenone 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 Docebenone?
You can request a quote for Docebenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Docebenone?
Yes, CoreyChem provides custom synthesis services for Docebenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.