Ebselen
TL;DR: Ebselen (CAS 60940-34-3) is a chemical compound with molecular formula C13H9NOSe and molecular weight 274.98495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-1,2-benzoselenazol-3-one
Also Known As: ebselen, Ebselenum, Ebselene, Ebseleno, Harmokisane
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H9NOSe |
| Molecular Weight | 274.98495 g/mol |
| XLogP | 2.05 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.98495 Da |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
| Solubility | 6.6 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2 |
| InChIKey | DYEFUKCXAQOFHX-UHFFFAOYSA-N |
Product Description
Applications: Ebselen 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, Ebselen (CAS 60940-34-3) has the molecular formula C13H9NOSe and a molecular weight of 274.98 g/mol. Reported properties include a solubility: 6.6 [ug/mL] (The mean of the results at pH 7.4). Synonyms include ebselen and Ebselenum.
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 Ebselen
Property Insights of Ebselen
The XLogP value of 2.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ebselen. With a topological polar surface area (TPSA) of 20.3 Ų, Ebselen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ebselen has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ebselen?
The CAS number of Ebselen is 60940-34-3.
What is the molecular formula of Ebselen?
The molecular formula of Ebselen is C13H9NOSe.
What is the molecular weight of Ebselen?
The molecular weight of Ebselen is 274.98495 g/mol.
What are the applications of Ebselen?
Ebselen 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...
Where can I buy Ebselen?
You can request a quote for Ebselen directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ebselen?
Yes, CoreyChem provides custom synthesis services for Ebselen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.