Etrenol
TL;DR: Etrenol (CAS 23255-93-8) is a chemical compound with molecular formula C21H28N2O5S2 and molecular weight 452.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[[4-(hydroxymethyl)-9-oxothioxanthen-1-yl]amino]ethyl]azanium;methanesulfonate
Also Known As: Etrenol, Hycanthone mesylate, Hycanthone methanesulfonate, Hycanthone methanesulphonate, Hycanthone monomethanesulfonate
| Molecular Formula | C21H28N2O5S2 |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 1.41 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.14395 |
| Heavy Atoms | 30 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 23255-93-8 |
|---|---|
| SMILES | CC[NH+](CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O.CS(=O)(=O)[O-] |
| InChIKey | LOEQGPPJCCUXEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etrenol (CAS 23255-93-8), with molecular formula C21H28N2O5S2 and molecular weight 452.14 g/mol. IUPAC: diethyl-[2-[[4-(hydroxymethyl)-9-oxothioxanthen-1-yl]amino]ethyl]azanium;methanesulfonate.
Chemical Property Profile of Etrenol
Property Insights of Etrenol
The XLogP value of 1.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Etrenol. The TPSA of 145.0 Ų indicates high polarity, suggesting Etrenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Etrenol has 3 hydrogen bond donor(s) and 7 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 Etrenol?
The CAS number of Etrenol is 23255-93-8.
What is the molecular formula of Etrenol?
The molecular formula of Etrenol is C21H28N2O5S2.
What is the molecular weight of Etrenol?
The molecular weight of Etrenol is 452.14 g/mol.
Where can I buy Etrenol?
You can request a quote for Etrenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etrenol?
Yes, KEHONG BIO provides custom synthesis services for Etrenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.