Methetoin
TL;DR: Methetoin (CAS 5696-06-0) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
Also Known As: METHETOIN, Metetoin, Deltoin, Metetoina, Metetoine
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 5696-06-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N1C)C2=CC=CC=C2 |
| InChIKey | NEGMMKYAVYNLCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methetoin (CAS 5696-06-0), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione.
Chemical Property Profile of Methetoin
Property Insights of Methetoin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methetoin. With a topological polar surface area (TPSA) of 49.4 Ų, Methetoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methetoin 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 Methetoin?
The CAS number of Methetoin is 5696-06-0.
What is the molecular formula of Methetoin?
The molecular formula of Methetoin is C12H14N2O2.
What is the molecular weight of Methetoin?
The molecular weight of Methetoin is 218.11 g/mol.
Where can I buy Methetoin?
You can request a quote for Methetoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methetoin?
Yes, KEHONG BIO provides custom synthesis services for Methetoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.