Fetoxilate
TL;DR: Fetoxilate (CAS 54063-45-5) is a chemical compound with molecular formula C36H36N2O3 and molecular weight 544.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
Also Known As: fetoxilato, fetoxilatum, Fetoxilate [INN:BAN], FETOXILATE [INN], FETOXILATE [WHO-DD]
| Molecular Formula | C36H36N2O3 |
|---|---|
| Molecular Weight | 544.27 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 544.2726 |
| Heavy Atoms | 41 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 54063-45-5 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC=CC=C2)C(=O)OCCOC3=CC=CC=C3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | KISQOVVPIHYLRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fetoxilate (CAS 54063-45-5), with molecular formula C36H36N2O3 and molecular weight 544.27 g/mol. IUPAC: 2-phenoxyethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate.
Chemical Property Profile of Fetoxilate
Property Insights of Fetoxilate
The XLogP value of 7.0 indicates that Fetoxilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Fetoxilate. Following Lipinski's Rule of Five, Fetoxilate has 0 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 Fetoxilate?
The CAS number of Fetoxilate is 54063-45-5.
What is the molecular formula of Fetoxilate?
The molecular formula of Fetoxilate is C36H36N2O3.
What is the molecular weight of Fetoxilate?
The molecular weight of Fetoxilate is 544.27 g/mol.
Where can I buy Fetoxilate?
You can request a quote for Fetoxilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fetoxilate?
Yes, KEHONG BIO provides custom synthesis services for Fetoxilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.