乙妥英
TL;DR: 乙妥英 (CAS 86-35-1) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙妥英
3-ethyl-5-phenylimidazolidine-2,4-dione
Also Known As: ethotoin, Peganone, Accenon, Ethotoine, Etotoina
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
| Melting Point | 94 |
| Solubility | 5280 |
Chemical Identifiers
| CAS Number | 86-35-1 |
|---|---|
| SMILES | CCN1C(=O)C(NC1=O)C2=CC=CC=C2 |
| InChIKey | SZQIFWWUIBRPBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙妥英 (CAS 86-35-1), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: 3-ethyl-5-phenylimidazolidine-2,4-dione.
Chemical Property Profile of 乙妥英
Property Insights of 乙妥英
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙妥英. With a topological polar surface area (TPSA) of 49.4 Ų, 乙妥英 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙苯妥英 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
Frequently Asked Questions
What is the CAS number of 乙苯妥英?
The CAS number of 乙苯妥英 is 86-35-1.
What is the molecular formula of 乙苯妥英?
The molecular formula of 乙苯妥英 is C11H12N2O2.
What is the molecular weight of 乙苯妥英?
The molecular weight of 乙苯妥英 is 204.09 g/mol.
Where can I buy 乙苯妥英?
You can request a quote for 乙苯妥英 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙苯妥英?
Yes, KEHONG BIO provides custom synthesis services for 乙苯妥英 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.