Tocopheronolactone
TL;DR: Tocopheronolactone (CAS 3121-68-4) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione
Also Known As: Tocopheronolactone, alpha-Tocopheronolactone, .ALPHA.-TOCOPHERONOLACTONE, 2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(2-(tetrahydro-2-methyl-5-oxo-2-furanyl)ethyl)- (VAN)
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 2.667 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 565.02594 |
Chemical Identifiers
| CAS Number | 3121-68-4 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)C)CCC2(CCC(=O)O2)C)C |
Product Overview
Tocopheronolactone (CAS 3121-68-4), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: 2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Tocopheronolactone
Property Insights of Tocopheronolactone
The XLogP value of 2.667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tocopheronolactone. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Tocopheronolactone. Following Lipinski's Rule of Five, Tocopheronolactone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tocopheronolactone?
The CAS number of Tocopheronolactone is 3121-68-4.
What is the molecular formula of Tocopheronolactone?
The molecular formula of Tocopheronolactone is C16H20O4.
What is the molecular weight of Tocopheronolactone?
The molecular weight of Tocopheronolactone is 276.14 g/mol.
Where can I buy Tocopheronolactone?
You can request a quote for Tocopheronolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tocopheronolactone?
Yes, KEHONG BIO provides custom synthesis services for Tocopheronolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.