Tocol acetate
TL;DR: Tocol acetate (CAS 6199-76-4) is a chemical compound with molecular formula C28H46O3 and molecular weight 430.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
Also Known As: Tocol acetate, Tocol, acetate, Tocol acetate [MI], 6-Chromanol, 2-methyl-2-(4,8,12-trimethyltridecyl)-, acetate, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate
| Molecular Formula | C28H46O3 |
|---|---|
| Molecular Weight | 430.34 g/mol |
| LogP | 8.1347 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 430.3447 |
| Heavy Atoms | 31 |
| Complexity | 680.8352 |
Chemical Identifiers
| CAS Number | 6199-76-4 |
|---|---|
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)C)C |
Product Overview
Tocol acetate (CAS 6199-76-4), with molecular formula C28H46O3 and molecular weight 430.34 g/mol. IUPAC: [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate.
Chemical Property Profile of Tocol acetate
Property Insights of Tocol acetate
The XLogP value of 8.1347 indicates that Tocol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Tocol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tocol acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tocol acetate?
The CAS number of Tocol acetate is 6199-76-4.
What is the molecular formula of Tocol acetate?
The molecular formula of Tocol acetate is C28H46O3.
What is the molecular weight of Tocol acetate?
The molecular weight of Tocol acetate is 430.34 g/mol.
Where can I buy Tocol acetate?
You can request a quote for Tocol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tocol acetate?
Yes, KEHONG BIO provides custom synthesis services for Tocol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.