1,3-Diethyl-3-methyl-2,5-pyrrolidinedione
TL;DR: 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione (CAS 54410-85-4) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-3-methylpyrrolidine-2,5-dione
Also Known As: Ethosuximide ethylated, 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione, 1,3-diethyl-3-methylpyrrolidine-2,5-dione, 2,5-Pyrrolidinedione, 1,3-diethyl-3-methyl-, 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione #
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 54410-85-4 |
|---|---|
| SMILES | CCC1(CC(=O)N(C1=O)CC)C |
| InChIKey | YLTFGXVYMJGZIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diethyl-3-methyl-2,5-pyrrolidinedione (CAS 54410-85-4), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: 1,3-diethyl-3-methylpyrrolidine-2,5-dione.
Chemical Property Profile of 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione
Property Insights of 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione. With a topological polar surface area (TPSA) of 37.4 Ų, 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione has 0 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 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione?
The CAS number of 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione is 54410-85-4.
What is the molecular formula of 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione?
The molecular formula of 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione is C9H15NO2.
What is the molecular weight of 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione?
The molecular weight of 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione is 169.11 g/mol.
Where can I buy 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione?
You can request a quote for 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl-3-methyl-2,5-pyrrolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.