dl-alpha-Tocopheryl 5-benzyloxypicolinate
TL;DR: dl-alpha-Tocopheryl 5-benzyloxypicolinate (CAS 85446-77-1) is a chemical compound with molecular formula C39H61NO4 and molecular weight 607.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(4-hydroxybutyl)pyridine-2-carboxylate
Also Known As: dl-alpha-Tocopheryl 5-benzyloxypicolinate, 2-Pyridinecarboxylic acid, 5-(4-hydroxybutyl)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-(4-hydroxybutyl)pyridine-2-carboxylate, [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(4-hydroxybutyl)pyridine-2-carboxylate, RefChem:1060007
| Molecular Formula | C39H61NO4 |
|---|---|
| Molecular Weight | 607.46 g/mol |
| LogP | 10.06386 |
| Topological Polar Surface Area | 68.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 607.4601 |
| Heavy Atoms | 44 |
| Complexity | 1187.8441 |
Chemical Identifiers
| CAS Number | 85446-77-1 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C3=NC=C(C=C3)CCCCO)C |
Product Overview
dl-alpha-Tocopheryl 5-benzyloxypicolinate (CAS 85446-77-1), with molecular formula C39H61NO4 and molecular weight 607.46 g/mol. IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(4-hydroxybutyl)pyridine-2-carboxylate.
Chemical Property Profile of dl-alpha-Tocopheryl 5-benzyloxypicolinate
Property Insights of dl-alpha-Tocopheryl 5-benzyloxypicolinate
The XLogP value of 10.06386 indicates that dl-alpha-Tocopheryl 5-benzyloxypicolinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.65 Ų falls within the moderate polarity range, balancing permeability and solubility for dl-alpha-Tocopheryl 5-benzyloxypicolinate. Following Lipinski's Rule of Five, dl-alpha-Tocopheryl 5-benzyloxypicolinate has 1 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 dl-alpha-Tocopheryl 5-benzyloxypicolinate?
The CAS number of dl-alpha-Tocopheryl 5-benzyloxypicolinate is 85446-77-1.
What is the molecular formula of dl-alpha-Tocopheryl 5-benzyloxypicolinate?
The molecular formula of dl-alpha-Tocopheryl 5-benzyloxypicolinate is C39H61NO4.
What is the molecular weight of dl-alpha-Tocopheryl 5-benzyloxypicolinate?
The molecular weight of dl-alpha-Tocopheryl 5-benzyloxypicolinate is 607.46 g/mol.
Where can I buy dl-alpha-Tocopheryl 5-benzyloxypicolinate?
You can request a quote for dl-alpha-Tocopheryl 5-benzyloxypicolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dl-alpha-Tocopheryl 5-benzyloxypicolinate?
Yes, KEHONG BIO provides custom synthesis services for dl-alpha-Tocopheryl 5-benzyloxypicolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.