dl-alpha-Tocopheryl 5-benzylpicolinate
TL;DR: dl-alpha-Tocopheryl 5-benzylpicolinate (CAS 85446-76-0) is a chemical compound with molecular formula C42H59NO3 and molecular weight 625.45 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-benzylpyridine-2-carboxylate
Also Known As: dl-alpha-Tocopheryl 5-benzylpicolinate, 2-Pyridinecarboxylic acid, 5-(phenylmethyl)-, 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-dihydrochromen-6-yl] 5-benzylpyridine-2-carboxylate, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-benzylpyridine-2-carboxylate, RefChem:1064668
| Molecular Formula | C42H59NO3 |
|---|---|
| Molecular Weight | 625.45 g/mol |
| LogP | 11.33966 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 625.4495 |
| Heavy Atoms | 46 |
| Complexity | 1411.2976 |
Chemical Identifiers
| CAS Number | 85446-76-0 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C3=NC=C(C=C3)CC4=CC=CC=C4)C |
Product Overview
dl-alpha-Tocopheryl 5-benzylpicolinate (CAS 85446-76-0), with molecular formula C42H59NO3 and molecular weight 625.45 g/mol. IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-benzylpyridine-2-carboxylate.
Chemical Property Profile of dl-alpha-Tocopheryl 5-benzylpicolinate
Property Insights of dl-alpha-Tocopheryl 5-benzylpicolinate
The XLogP value of 11.33966 indicates that dl-alpha-Tocopheryl 5-benzylpicolinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, dl-alpha-Tocopheryl 5-benzylpicolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dl-alpha-Tocopheryl 5-benzylpicolinate has 0 hydrogen bond donor(s) and 4 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-benzylpicolinate?
The CAS number of dl-alpha-Tocopheryl 5-benzylpicolinate is 85446-76-0.
What is the molecular formula of dl-alpha-Tocopheryl 5-benzylpicolinate?
The molecular formula of dl-alpha-Tocopheryl 5-benzylpicolinate is C42H59NO3.
What is the molecular weight of dl-alpha-Tocopheryl 5-benzylpicolinate?
The molecular weight of dl-alpha-Tocopheryl 5-benzylpicolinate is 625.45 g/mol.
Where can I buy dl-alpha-Tocopheryl 5-benzylpicolinate?
You can request a quote for dl-alpha-Tocopheryl 5-benzylpicolinate 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-benzylpicolinate?
Yes, KEHONG BIO provides custom synthesis services for dl-alpha-Tocopheryl 5-benzylpicolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.