5-Nicotinooxymethyl-alpha-tocopherylnicotinate
TL;DR: 5-Nicotinooxymethyl-alpha-tocopherylnicotinate (CAS 51605-68-6) is a chemical compound with molecular formula C41H56N2O5 and molecular weight 656.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,7,8-trimethyl-6-(pyridine-3-carbonyloxy)-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methyl pyridine-3-carboxylate
Also Known As: 5-NNT, 5-Nicotinooxymethyl-alpha-tocopherylnicotinate, [2,7,8-trimethyl-6-(pyridine-3-carbonyloxy)-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methyl pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 3,4-dihydro-2,7,8-trimethyl-5-(((3-pyridinylcarbonyl)oxy)methyl)-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, 2,7,8-Trimethyl-5-{[(pyridine-3-carbonyl)oxy]methyl}-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl pyridine-3-carboxylate
| Molecular Formula | C41H56N2O5 |
|---|---|
| Molecular Weight | 656.42 g/mol |
| LogP | 11.3 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 656.41895 |
| Heavy Atoms | 48 |
| Complexity | 974.0 |
Chemical Identifiers
| CAS Number | 51605-68-6 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)COC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)C |
| InChIKey | DQOYCYHUBHLMSJ-UHFFFAOYSA-N |
Product Overview
5-Nicotinooxymethyl-alpha-tocopherylnicotinate (CAS 51605-68-6), with molecular formula C41H56N2O5 and molecular weight 656.42 g/mol. IUPAC: [2,7,8-trimethyl-6-(pyridine-3-carbonyloxy)-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methyl pyridine-3-carboxylate.
Chemical Property Profile of 5-Nicotinooxymethyl-alpha-tocopherylnicotinate
Property Insights of 5-Nicotinooxymethyl-alpha-tocopherylnicotinate
The XLogP value of 11.3 indicates that 5-Nicotinooxymethyl-alpha-tocopherylnicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nicotinooxymethyl-alpha-tocopherylnicotinate. Following Lipinski's Rule of Five, 5-Nicotinooxymethyl-alpha-tocopherylnicotinate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Nicotinooxymethyl-alpha-tocopherylnicotinate?
The CAS number of 5-Nicotinooxymethyl-alpha-tocopherylnicotinate is 51605-68-6.
What is the molecular formula of 5-Nicotinooxymethyl-alpha-tocopherylnicotinate?
The molecular formula of 5-Nicotinooxymethyl-alpha-tocopherylnicotinate is C41H56N2O5.
What is the molecular weight of 5-Nicotinooxymethyl-alpha-tocopherylnicotinate?
The molecular weight of 5-Nicotinooxymethyl-alpha-tocopherylnicotinate is 656.42 g/mol.
Where can I buy 5-Nicotinooxymethyl-alpha-tocopherylnicotinate?
You can request a quote for 5-Nicotinooxymethyl-alpha-tocopherylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nicotinooxymethyl-alpha-tocopherylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for 5-Nicotinooxymethyl-alpha-tocopherylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.