2,4,5-Trimethylbenzoic Acid
TL;DR: 2,4,5-Trimethylbenzoic Acid (CAS 528-90-5) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,5-trimethylbenzoic acid
Also Known As: 2,4,5-TRIMETHYLBENZOIC ACID, Durylic acid, cumylic acid, Benzoic acid, 2,4,5-trimethyl-, 2,5-Trimethylbenzoic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
| SMILES | CC1=CC(=C(C=C1C)C(=O)O)C |
| InChIKey | QENJZWZWAWWESF-UHFFFAOYSA-N |
Product Description
Applications: 2,4,5-Trimethylbenzoic Acid is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4,5-Trimethylbenzoic Acid (CAS 528-90-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,4,5-Trimethylbenzoic Acid (CAS 528-90-5) is a organic building block with the molecular formula C10H12O2 and a molecular weight of 164.08 g/mol. It is also known as 2,4,5-TRIMETHYLBENZOIC ACID and Durylic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,4,5-Trimethylbenzoic Acid
Property Insights of 2,4,5-Trimethylbenzoic Acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trimethylbenzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4,5-Trimethylbenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trimethylbenzoic Acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,5-Trimethylbenzoic Acid?
The CAS number of 2,4,5-Trimethylbenzoic Acid is 528-90-5.
What is the molecular formula of 2,4,5-Trimethylbenzoic Acid?
The molecular formula of 2,4,5-Trimethylbenzoic Acid is C10H12O2.
What is the molecular weight of 2,4,5-Trimethylbenzoic Acid?
The molecular weight of 2,4,5-Trimethylbenzoic Acid is 164.08372 g/mol.
What are the applications of 2,4,5-Trimethylbenzoic Acid?
2,4,5-Trimethylbenzoic Acid is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2,4,5-Trimethylbenzoic Acid?
You can request a quote for 2,4,5-Trimethylbenzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,5-Trimethylbenzoic Acid?
Yes, CoreyChem provides custom synthesis services for 2,4,5-Trimethylbenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.