Etiroxate hydrochloride
TL;DR: Etiroxate hydrochloride (CAS 55327-22-5) is a chemical compound with molecular formula C18H18ClI4NO4 and molecular weight 854.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-methylpropanoate;hydrochloride
Also Known As: Etiroxate hydrochloride, Etiroxate HCl, EINECS 259-593-1, ETIROXATE HYDROCHLORIDE [MI], ETIROXATE HYDROCHLORIDE [MART.]
| Molecular Formula | C18H18ClI4NO4 |
|---|---|
| Molecular Weight | 854.71 g/mol |
| LogP | 5.8477 |
| Topological Polar Surface Area | 81.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 854.7103 |
| Heavy Atoms | 28 |
| Complexity | 830.6495 |
Chemical Identifiers
| CAS Number | 55327-22-5 |
|---|---|
| SMILES | CCOC(=O)C(C)(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N.Cl |
Product Overview
Etiroxate hydrochloride (CAS 55327-22-5), with molecular formula C18H18ClI4NO4 and molecular weight 854.71 g/mol. IUPAC: ethyl 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-methylpropanoate;hydrochloride.
Chemical Property Profile of Etiroxate hydrochloride
Property Insights of Etiroxate hydrochloride
The XLogP value of 5.8477 indicates that Etiroxate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Etiroxate hydrochloride. Following Lipinski's Rule of Five, Etiroxate hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Etiroxate hydrochloride?
The CAS number of Etiroxate hydrochloride is 55327-22-5.
What is the molecular formula of Etiroxate hydrochloride?
The molecular formula of Etiroxate hydrochloride is C18H18ClI4NO4.
What is the molecular weight of Etiroxate hydrochloride?
The molecular weight of Etiroxate hydrochloride is 854.71 g/mol.
Where can I buy Etiroxate hydrochloride?
You can request a quote for Etiroxate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etiroxate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Etiroxate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.