Etonitazene hydrochloride
TL;DR: Etonitazene hydrochloride (CAS 2053-25-0) is a chemical compound with molecular formula C22H29ClN4O3 and molecular weight 432.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethyl-diethylazanium chloride
Also Known As: Etonitazene hydrochloride, ETONITAZENE HYDROCHLORIDE [MI], 1-(2-Diethylaminoethyl)-2-(p-ethoxybenzyl)-5-nitrobenzimidazole hydrochloride, Benzimidazole, 1-(2-diethylaminoethyl)-2-(p-ethoxybenzyl)-5-nitro-, hydrochloride, 2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethyl-diethylazanium chloride
| Molecular Formula | C22H29ClN4O3 |
|---|---|
| Molecular Weight | 432.19 g/mol |
| LogP | -0.14 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.1928 |
| Heavy Atoms | 30 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 2053-25-0 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC.[Cl-] |
| InChIKey | JTBRYBUIGVMMQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etonitazene hydrochloride (CAS 2053-25-0), with molecular formula C22H29ClN4O3 and molecular weight 432.19 g/mol. IUPAC: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethyl-diethylazanium chloride.
Chemical Property Profile of Etonitazene hydrochloride
Property Insights of Etonitazene hydrochloride
The XLogP value of -0.14 indicates that Etonitazene hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Etonitazene hydrochloride. Following Lipinski's Rule of Five, Etonitazene hydrochloride has 1 hydrogen bond donor(s) and 5 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 Etonitazene hydrochloride?
The CAS number of Etonitazene hydrochloride is 2053-25-0.
What is the molecular formula of Etonitazene hydrochloride?
The molecular formula of Etonitazene hydrochloride is C22H29ClN4O3.
What is the molecular weight of Etonitazene hydrochloride?
The molecular weight of Etonitazene hydrochloride is 432.19 g/mol.
Where can I buy Etonitazene hydrochloride?
You can request a quote for Etonitazene hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etonitazene hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Etonitazene hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.