Tocoretinate
TL;DR: Tocoretinate (CAS 40516-48-1) is a chemical compound with molecular formula C49H76O3 and molecular weight 712.57947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Also Known As: Tocoretinate, olcenon, tretinoin tocoferil, Tocopheryl Retinoate; Tretinoin tocoferil, [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Technical Specifications
| Molecular Formula | C49H76O3 |
| Molecular Weight | 712.57947 g/mol |
| XLogP | 16.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 712.57947 Da |
| Heavy Atoms | 52 |
| Complexity | 1280.0 |
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OC2=C(C3=C(C(=C2C)C)OC(CC3)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C |
| InChIKey | RIQIJXOWVAHQES-UHFFFAOYSA-N |
Product Description
Applications: Tocoretinate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Tocoretinate (CAS 40516-48-1) is a fine chemical with the molecular formula C49H76O3 and a molecular weight of 712.58 g/mol. Synonyms include Tocoretinate and olcenon.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Tocoretinate
Property Insights of Tocoretinate
The XLogP value of 16.9 indicates that Tocoretinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Tocoretinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tocoretinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tocoretinate?
The CAS number of Tocoretinate is 40516-48-1.
What is the molecular formula of Tocoretinate?
The molecular formula of Tocoretinate is C49H76O3.
What is the molecular weight of Tocoretinate?
The molecular weight of Tocoretinate is 712.57947 g/mol.
What are the applications of Tocoretinate?
Tocoretinate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Tocoretinate?
You can request a quote for Tocoretinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tocoretinate?
Yes, CoreyChem provides custom synthesis services for Tocoretinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.