5-tert-Butyl-m-toluic acid
TL;DR: 5-tert-Butyl-m-toluic acid (CAS 17484-28-5) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butyl-5-methylbenzoic acid
Also Known As: 3-tert-butyl-5-methylbenzoic acid, 5-tert-Butyl-m-toluic acid, 3-(tert-butyl)-5-methylbenzoic acid, 5-t-Butyl-m-toluylsaeure, 3-(t-Butyl)-5-methylbenZoic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.11504 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.11504 Da |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
| SMILES | CC1=CC(=CC(=C1)C(C)(C)C)C(=O)O |
| InChIKey | KFTYUKLBWUVVPI-UHFFFAOYSA-N |
Chemical Property Profile of 5-tert-Butyl-m-toluic acid
Property Insights of 5-tert-Butyl-m-toluic acid
The XLogP value of 3.5 indicates that 5-tert-Butyl-m-toluic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 5-tert-Butyl-m-toluic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-Butyl-m-toluic 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 5-tert-Butyl-m-toluic acid?
The CAS number of 5-tert-Butyl-m-toluic acid is 17484-28-5.
What is the molecular formula of 5-tert-Butyl-m-toluic acid?
The molecular formula of 5-tert-Butyl-m-toluic acid is C12H16O2.
What is the molecular weight of 5-tert-Butyl-m-toluic acid?
The molecular weight of 5-tert-Butyl-m-toluic acid is 192.11504 g/mol.
Where can I buy 5-tert-Butyl-m-toluic acid?
You can request a quote for 5-tert-Butyl-m-toluic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-tert-Butyl-m-toluic acid?
Yes, CoreyChem provides custom synthesis services for 5-tert-Butyl-m-toluic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.