dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate
TL;DR: dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate (CAS 85446-72-6) is a chemical compound with molecular formula C39H59Br2NO3 and molecular weight 747.29 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-(3,4-dibromobutyl)pyridine-2-carboxylate
Also Known As: dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate, 2-Pyridinecarboxylic acid, 5-(3,4-dibromobutyl)-, 3,4-dihydro-2,5-2,5,7,8-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-(3,4-dibromobutyl)pyridine-2-carboxylate, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-(3,4-dibromobutyl)pyridine-2-carboxylate, 2-Pyridinecarboxylic acid,5-(3,4-dibromobutyl)-,3,4-dihydro-2,5-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
| Molecular Formula | C39H59Br2NO3 |
|---|---|
| Molecular Weight | 747.29 g/mol |
| LogP | 11.83986 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 747.2862 |
| Heavy Atoms | 45 |
| Complexity | 1228.0273 |
Chemical Identifiers
| CAS Number | 85446-72-6 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C3=NC=C(C=C3)CCC(CBr)Br)C |
Product Overview
dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate (CAS 85446-72-6), with molecular formula C39H59Br2NO3 and molecular weight 747.29 g/mol. IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(3,4-dibromobutyl)pyridine-2-carboxylate.
Chemical Property Profile of dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate
Property Insights of dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate
The XLogP value of 11.83986 indicates that dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate 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-(3,4-dibromobutyl)picolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate 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-(3,4-dibromobutyl)picolinate?
The CAS number of dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate is 85446-72-6.
What is the molecular formula of dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate?
The molecular formula of dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate is C39H59Br2NO3.
What is the molecular weight of dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate?
The molecular weight of dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate is 747.29 g/mol.
Where can I buy dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate?
You can request a quote for dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate 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-(3,4-dibromobutyl)picolinate?
Yes, KEHONG BIO provides custom synthesis services for dl-alpha-Tocopheryl 5-(3,4-dibromobutyl)picolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.