Etoperidone
TL;DR: Etoperidone (CAS 52942-31-1) is a chemical compound with molecular formula C19H28ClN5O and molecular weight 377.19824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,5-diethyl-1,2,4-triazol-3-one
Also Known As: ETOPERIDONE, Etoperidona, Etoperidonum, Clopradone, Triazolinone
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H28ClN5O |
| Molecular Weight | 377.19824 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.19824 Da |
| Heavy Atoms | 26 |
| Complexity | 506.0 |
| Melting Point | 197-198 ºC |
| Boiling Point | 499ºC at 760mmHg |
| SMILES | CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl |
| InChIKey | IZBNNCFOBMGTQX-UHFFFAOYSA-N |
Chemical Property Profile of Etoperidone
Property Insights of Etoperidone
The XLogP value of 3.0 indicates that Etoperidone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Etoperidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etoperidone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Etoperidone?
The CAS number of Etoperidone is 52942-31-1.
What is the molecular formula of Etoperidone?
The molecular formula of Etoperidone is C19H28ClN5O.
What is the molecular weight of Etoperidone?
The molecular weight of Etoperidone is 377.19824 g/mol.
Where can I buy Etoperidone?
You can request a quote for Etoperidone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Etoperidone?
Yes, CoreyChem provides custom synthesis services for Etoperidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.