Etoperidone hydrochloride
TL;DR: Etoperidone hydrochloride (CAS 57775-22-1) is a chemical compound with molecular formula C19H29Cl2N5O and molecular weight 413.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,5-diethyl-1,2,4-triazol-3-one;hydrochloride
Also Known As: Etoperidone hydrochloride, Axiomin, Etoran, Depracer, Tropene
| Molecular Formula | C19H29Cl2N5O |
|---|---|
| Molecular Weight | 413.17 g/mol |
| LogP | 2.91 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.17493 |
| Heavy Atoms | 27 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 57775-22-1 |
|---|---|
| SMILES | CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl.Cl |
| InChIKey | BHKPQZVLIZKSAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etoperidone hydrochloride (CAS 57775-22-1), with molecular formula C19H29Cl2N5O and molecular weight 413.17 g/mol. IUPAC: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,5-diethyl-1,2,4-triazol-3-one;hydrochloride.
Chemical Property Profile of Etoperidone hydrochloride
Property Insights of Etoperidone hydrochloride
The XLogP value of 2.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Etoperidone hydrochloride. With a topological polar surface area (TPSA) of 42.4 Ų, Etoperidone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etoperidone hydrochloride has 1 hydrogen bond donor(s) and 4 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 Etoperidone hydrochloride?
The CAS number of Etoperidone hydrochloride is 57775-22-1.
What is the molecular formula of Etoperidone hydrochloride?
The molecular formula of Etoperidone hydrochloride is C19H29Cl2N5O.
What is the molecular weight of Etoperidone hydrochloride?
The molecular weight of Etoperidone hydrochloride is 413.17 g/mol.
Where can I buy Etoperidone hydrochloride?
You can request a quote for Etoperidone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etoperidone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Etoperidone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.