alpha-Tocopheryl o-acetoxybenzoate
TL;DR: alpha-Tocopheryl o-acetoxybenzoate (CAS 34617-32-8) is a chemical compound with molecular formula C38H56O5 and molecular weight 592.41 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-acetyloxybenzoate
Also Known As: alpha-Tocopheryl o-acetoxybenzoate, (2R-(2R*(4R*,8R*)))-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 2-acetoxybenzoate, (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl 2-(acetyloxy)benzoate, Benzoic acid,2-(acetyloxy)-,3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ylester, [2R-[2R*(4R*,8R*)]]- (9CI), [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] 2-acetyloxybenzoate
| Molecular Formula | C38H56O5 |
|---|---|
| Molecular Weight | 592.41 g/mol |
| LogP | 12.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 592.4128 |
| Heavy Atoms | 43 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 34617-32-8 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C3=CC=CC=C3OC(=O)C)C |
| InChIKey | ANTFEZADEMVYGA-DVEXYGBFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Tocopheryl o-acetoxybenzoate (CAS 34617-32-8), with molecular formula C38H56O5 and molecular weight 592.41 g/mol. IUPAC: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] 2-acetyloxybenzoate.
Chemical Property Profile of alpha-Tocopheryl o-acetoxybenzoate
Property Insights of alpha-Tocopheryl o-acetoxybenzoate
The XLogP value of 12.2 indicates that alpha-Tocopheryl o-acetoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Tocopheryl o-acetoxybenzoate. Following Lipinski's Rule of Five, alpha-Tocopheryl o-acetoxybenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Tocopheryl o-acetoxybenzoate?
The CAS number of alpha-Tocopheryl o-acetoxybenzoate is 34617-32-8.
What is the molecular formula of alpha-Tocopheryl o-acetoxybenzoate?
The molecular formula of alpha-Tocopheryl o-acetoxybenzoate is C38H56O5.
What is the molecular weight of alpha-Tocopheryl o-acetoxybenzoate?
The molecular weight of alpha-Tocopheryl o-acetoxybenzoate is 592.41 g/mol.
Where can I buy alpha-Tocopheryl o-acetoxybenzoate?
You can request a quote for alpha-Tocopheryl o-acetoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Tocopheryl o-acetoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Tocopheryl o-acetoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.