Tocofibrate
TL;DR: Tocofibrate (CAS 50465-39-9) is a chemical compound with molecular formula C39H59ClO4 and molecular weight 626.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: Tocofibrate, Tocofibrato, Tocofibratum, Tocofibrate [INN], Tocofibrato [Spanish]
| Molecular Formula | C39H59ClO4 |
|---|---|
| Molecular Weight | 626.41 g/mol |
| LogP | 13.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 626.4102 |
| Heavy Atoms | 44 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 50465-39-9 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)C |
| InChIKey | VPRFDABTJNLKKR-XHZSPPMBSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tocofibrate (CAS 50465-39-9), with molecular formula C39H59ClO4 and molecular weight 626.41 g/mol. IUPAC: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] 2-(4-chlorophenoxy)-2-methylpropanoate.
Chemical Property Profile of Tocofibrate
Property Insights of Tocofibrate
The XLogP value of 13.7 indicates that Tocofibrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Tocofibrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tocofibrate 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 Tocofibrate?
The CAS number of Tocofibrate is 50465-39-9.
What is the molecular formula of Tocofibrate?
The molecular formula of Tocofibrate is C39H59ClO4.
What is the molecular weight of Tocofibrate?
The molecular weight of Tocofibrate is 626.41 g/mol.
Where can I buy Tocofibrate?
You can request a quote for Tocofibrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tocofibrate?
Yes, KEHONG BIO provides custom synthesis services for Tocofibrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.