3,5-Diisopropylsalicylic acid
TL;DR: 3,5-Diisopropylsalicylic acid (CAS 2215-21-6) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-3,5-di(propan-2-yl)benzoic acid
Also Known As: 3,5-Diisopropylsalicylic acid, 2-Hydroxy-3,5-diisopropylbenzoic acid, 3,5-Diisopropylsalicylate, DIPS, Propofol Impurity 28
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.1256 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.1256 Da |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
| SMILES | CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C |
| InChIKey | XUFUYOGWFZSHGE-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Diisopropylsalicylic acid
Property Insights of 3,5-Diisopropylsalicylic acid
The XLogP value of 5.5 indicates that 3,5-Diisopropylsalicylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3,5-Diisopropylsalicylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Diisopropylsalicylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,5-Diisopropylsalicylic acid?
The CAS number of 3,5-Diisopropylsalicylic acid is 2215-21-6.
What is the molecular formula of 3,5-Diisopropylsalicylic acid?
The molecular formula of 3,5-Diisopropylsalicylic acid is C13H18O3.
What is the molecular weight of 3,5-Diisopropylsalicylic acid?
The molecular weight of 3,5-Diisopropylsalicylic acid is 222.1256 g/mol.
Where can I buy 3,5-Diisopropylsalicylic acid?
You can request a quote for 3,5-Diisopropylsalicylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Diisopropylsalicylic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Diisopropylsalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.