1-Ethyl-2,3,5-trimethylbenzene
TL;DR: 1-Ethyl-2,3,5-trimethylbenzene (CAS 54120-62-6) is a chemical compound with molecular formula C11H16 and molecular weight 148.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-2,3,5-trimethylbenzene
Also Known As: 1-ethyl-2,3,5-trimethylbenzene, 1,2,5-Trimethyl-3-ethylbenzene, 6-Ethyl-1,2,4-trimethylbenzene, Benzene, 1-ethyl-2,3,5-trimethyl-, Benzene,1-ethyl-2,3,5-trimethyl
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16 |
| Molecular Weight | 148.1252 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.1252 Da |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
| SMILES | CCC1=CC(=CC(=C1C)C)C |
| InChIKey | GGYNNCOYZVGAPR-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethyl-2,3,5-trimethylbenzene
Property Insights of 1-Ethyl-2,3,5-trimethylbenzene
The XLogP value of 4.5 indicates that 1-Ethyl-2,3,5-trimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethyl-2,3,5-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-2,3,5-trimethylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Ethyl-2,3,5-trimethylbenzene?
The CAS number of 1-Ethyl-2,3,5-trimethylbenzene is 54120-62-6.
What is the molecular formula of 1-Ethyl-2,3,5-trimethylbenzene?
The molecular formula of 1-Ethyl-2,3,5-trimethylbenzene is C11H16.
What is the molecular weight of 1-Ethyl-2,3,5-trimethylbenzene?
The molecular weight of 1-Ethyl-2,3,5-trimethylbenzene is 148.1252 g/mol.
Where can I buy 1-Ethyl-2,3,5-trimethylbenzene?
You can request a quote for 1-Ethyl-2,3,5-trimethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethyl-2,3,5-trimethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Ethyl-2,3,5-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.