Tocopheryl Nicotinate
TL;DR: Tocopheryl Nicotinate (CAS 43119-47-7) is a chemical compound with molecular formula C35H53NO3 and molecular weight 535.40 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] pyridine-3-carboxylate
Also Known As: Vitamin E Nicotinate, Renascin, tocopherol nicotinate, TOCOPHERYL NICOTINATE, Kentons
| Molecular Formula | C35H53NO3 |
|---|---|
| Molecular Weight | 535.40 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 535.4025 |
| Heavy Atoms | 39 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 43119-47-7 |
|---|---|
| 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=CN=CC=C3)C |
| InChIKey | MSCCTZZBYHQMQJ-AZAGJHQNSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tocopheryl Nicotinate (CAS 43119-47-7), with molecular formula C35H53NO3 and molecular weight 535.40 g/mol. IUPAC: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate.
Chemical Property Profile of Tocopheryl Nicotinate
Property Insights of Tocopheryl Nicotinate
The XLogP value of 11.4 indicates that Tocopheryl Nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.4 Ų, Tocopheryl Nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tocopheryl Nicotinate 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 Tocopheryl Nicotinate?
The CAS number of Tocopheryl Nicotinate is 43119-47-7.
What is the molecular formula of Tocopheryl Nicotinate?
The molecular formula of Tocopheryl Nicotinate is C35H53NO3.
What is the molecular weight of Tocopheryl Nicotinate?
The molecular weight of Tocopheryl Nicotinate is 535.40 g/mol.
Where can I buy Tocopheryl Nicotinate?
You can request a quote for Tocopheryl Nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tocopheryl Nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Tocopheryl Nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.