Tocofenoxate
TL;DR: Tocofenoxate (CAS 61343-44-0) is a chemical compound with molecular formula C37H55ClO4 and molecular weight 598.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-(4-chlorophenoxy)acetate
Also Known As: Tocofenoxate, Tocofenoxato, Tocofenoxatum, Tocofenoxate [INN], Tocofenoxatum [INN-Latin]
| Molecular Formula | C37H55ClO4 |
|---|---|
| Molecular Weight | 598.38 g/mol |
| LogP | 13.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 598.3789 |
| Heavy Atoms | 42 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 61343-44-0 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)COC3=CC=C(C=C3)Cl)C |
| InChIKey | BSKVVWMQRIUXTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tocofenoxate (CAS 61343-44-0), with molecular formula C37H55ClO4 and molecular weight 598.38 g/mol. IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of Tocofenoxate
Property Insights of Tocofenoxate
The XLogP value of 13.1 indicates that Tocofenoxate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Tocofenoxate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tocofenoxate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tocofenoxate?
The CAS number of Tocofenoxate is 61343-44-0.
What is the molecular formula of Tocofenoxate?
The molecular formula of Tocofenoxate is C37H55ClO4.
What is the molecular weight of Tocofenoxate?
The molecular weight of Tocofenoxate is 598.38 g/mol.
Where can I buy Tocofenoxate?
You can request a quote for Tocofenoxate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tocofenoxate?
Yes, KEHONG BIO provides custom synthesis services for Tocofenoxate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.