Etiroxate
TL;DR: Etiroxate (CAS 17365-01-4) is a chemical compound with molecular formula C18H17I4NO4 and molecular weight 818.73 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
Also Known As: Etiroxate, Etiroxato, Etiroxatum, etiroxat, Etiroxate [INN]
| Molecular Formula | C18H17I4NO4 |
|---|---|
| Molecular Weight | 818.73 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 818.7336 |
| Heavy Atoms | 27 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 17365-01-4 |
|---|---|
| SMILES | CCOC(=O)C(C)(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N |
| InChIKey | LWZCMKGGFONJPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etiroxate (CAS 17365-01-4), with molecular formula C18H17I4NO4 and molecular weight 818.73 g/mol. IUPAC: ethyl 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-methylpropanoate.
Chemical Property Profile of Etiroxate
Property Insights of Etiroxate
The XLogP value of 5.5 indicates that Etiroxate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Etiroxate. Following Lipinski's Rule of Five, Etiroxate 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?
The CAS number of Etiroxate is 17365-01-4.
What is the molecular formula of Etiroxate?
The molecular formula of Etiroxate is C18H17I4NO4.
What is the molecular weight of Etiroxate?
The molecular weight of Etiroxate is 818.73 g/mol.
Where can I buy Etiroxate?
You can request a quote for Etiroxate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etiroxate?
Yes, KEHONG BIO provides custom synthesis services for Etiroxate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.