2,5,8-Trimethyl-1-tetralone
TL;DR: 2,5,8-Trimethyl-1-tetralone (CAS 104761-42-4) is a chemical compound with molecular formula C13H16O and molecular weight 188.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 2,5,8-Trimethyl-1-tetralone, 2,8-Trimethyl-1-tetralone, 2,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one, 3,5,8-trimethyl-1(2H)naphthalenone, 3,4-Dihydro-2,5,8-trimethyl-1(2H)-naphthalenone
Technical Specifications
| Molecular Formula | C13H16O |
| Molecular Weight | 188.12012 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.12012 Da |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| SMILES | CC1CCC2=C(C=CC(=C2C1=O)C)C |
| InChIKey | PKGVLPASJKWUPK-UHFFFAOYSA-N |
Chemical Property Profile of 2,5,8-Trimethyl-1-tetralone
Property Insights of 2,5,8-Trimethyl-1-tetralone
The XLogP value of 3.3 indicates that 2,5,8-Trimethyl-1-tetralone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,5,8-Trimethyl-1-tetralone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,8-Trimethyl-1-tetralone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,5,8-Trimethyl-1-tetralone?
The CAS number of 2,5,8-Trimethyl-1-tetralone is 104761-42-4.
What is the molecular formula of 2,5,8-Trimethyl-1-tetralone?
The molecular formula of 2,5,8-Trimethyl-1-tetralone is C13H16O.
What is the molecular weight of 2,5,8-Trimethyl-1-tetralone?
The molecular weight of 2,5,8-Trimethyl-1-tetralone is 188.12012 g/mol.
Where can I buy 2,5,8-Trimethyl-1-tetralone?
You can request a quote for 2,5,8-Trimethyl-1-tetralone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5,8-Trimethyl-1-tetralone?
Yes, CoreyChem provides custom synthesis services for 2,5,8-Trimethyl-1-tetralone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.