维生素E醋酸酯
TL;DR: 维生素E醋酸酯 (CAS 58-95-7) is a chemical compound with molecular formula C31H52O3 and molecular weight 472.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
维生素E醋酸酯
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate
Also Known As: Vitamin E acetate, alpha-Tocopherol acetate, Alfacol, Tocopherol acetate, Ecofrol
| Molecular Formula | C31H52O3 |
|---|---|
| Molecular Weight | 472.39 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 472.39163 |
| Heavy Atoms | 34 |
| Complexity | 601.0 |
| Melting Point | 27.8 °C |
| Boiling Point | 183.9 °C at 0.01 mmHg |
| Density | 0.9507 at 25.6 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 63 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 58-95-7 |
|---|---|
| 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 |
| InChIKey | ZAKOWWREFLAJOT-CEFNRUSXSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
维生素E醋酸酯 (CAS 58-95-7), with molecular formula C31H52O3 and molecular weight 472.39 g/mol. IUPAC: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate.
Chemical Property Profile of 维生素E醋酸酯
Property Insights of 维生素E醋酸酯
The XLogP value of 10.8 indicates that 维生素E醋酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 维生素E醋酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 维生素E醋酸酯 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 维生素E醋酸酯?
The CAS number of 维生素E醋酸酯 is 58-95-7.
What is the molecular formula of 维生素E醋酸酯?
The molecular formula of 维生素E醋酸酯 is C31H52O3.
What is the molecular weight of 维生素E醋酸酯?
The molecular weight of 维生素E醋酸酯 is 472.39 g/mol.
Where can I buy 维生素E醋酸酯?
You can request a quote for 维生素E醋酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 维生素E醋酸酯?
Yes, KEHONG BIO provides custom synthesis services for 维生素E醋酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.