Ethotoin
TL;DR: Ethotoin (CAS 86-35-1) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-5-phenylimidazolidine-2,4-dione
Also Known As: ethotoin, Peganone, Accenon, Ethotoine, Etotoina
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.08987 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.08987 Da |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
| Melting Point | 94 |
| Solubility | 5280 |
| SMILES | CCN1C(=O)C(NC1=O)C2=CC=CC=C2 |
| InChIKey | SZQIFWWUIBRPBZ-UHFFFAOYSA-N |
Product Description
Applications: Ethotoin 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).
Ethotoin is a pharmaceutical intermediate identified by CAS number 86-35-1 and the molecular formula C11H12N2O2 and a molecular weight of 204.09 g/mol. Physically, the compound has a solubility: 5280. Synonyms include ethotoin and Peganone.
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 Ethotoin
Property Insights of Ethotoin
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethotoin. With a topological polar surface area (TPSA) of 49.4 Ų, Ethotoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethotoin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethotoin?
The CAS number of Ethotoin is 86-35-1.
What is the molecular formula of Ethotoin?
The molecular formula of Ethotoin is C11H12N2O2.
What is the molecular weight of Ethotoin?
The molecular weight of Ethotoin is 204.08987 g/mol.
What are the applications of Ethotoin?
Ethotoin 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 Ethotoin?
You can request a quote for Ethotoin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethotoin?
Yes, CoreyChem provides custom synthesis services for Ethotoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.