多塞苯酮
TL;DR: 多塞苯酮 (CAS 80809-81-0) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
多塞苯酮
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]
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 80809-81-0 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C |
| InChIKey | WDEABJKSGGRCQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
多塞苯酮 (CAS 80809-81-0), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: 2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 多塞苯酮
Property Insights of 多塞苯酮
The XLogP value of 3.9 indicates that 多塞苯酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 多塞苯酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 多塞苯酮 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
Frequently Asked Questions
What is the CAS number of 多塞苯酮?
The CAS number of 多塞苯酮 is 80809-81-0.
What is the molecular formula of 多塞苯酮?
The molecular formula of 多塞苯酮 is C21H26O3.
What is the molecular weight of 多塞苯酮?
The molecular weight of 多塞苯酮 is 326.19 g/mol.
Where can I buy 多塞苯酮?
You can request a quote for 多塞苯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 多塞苯酮?
Yes, KEHONG BIO provides custom synthesis services for 多塞苯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.