5-Tert-amylsalicylic acid
TL;DR: 5-Tert-amylsalicylic acid (CAS 40946-44-9) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-(2-methylbutan-2-yl)benzoic acid
Also Known As: 5-tert-amylsalicylic acid, 2-hydroxy-5-(2-methylbutan-2-yl)benzoic acid, 2-Hydroxy-5-tert-pentyl-benzoesaeure, 2-hydroxy-5-(1,1-dimethylpropyl)benzoic acid, RefChem:304891
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 40946-44-9 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)O)C(=O)O |
| InChIKey | JAWMDQPKGUFLQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Tert-amylsalicylic acid (CAS 40946-44-9), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-hydroxy-5-(2-methylbutan-2-yl)benzoic acid.
Chemical Property Profile of 5-Tert-amylsalicylic acid
Property Insights of 5-Tert-amylsalicylic acid
The XLogP value of 4.6 indicates that 5-Tert-amylsalicylic 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, 5-Tert-amylsalicylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-amylsalicylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Tert-amylsalicylic acid?
The CAS number of 5-Tert-amylsalicylic acid is 40946-44-9.
What is the molecular formula of 5-Tert-amylsalicylic acid?
The molecular formula of 5-Tert-amylsalicylic acid is C12H16O3.
What is the molecular weight of 5-Tert-amylsalicylic acid?
The molecular weight of 5-Tert-amylsalicylic acid is 208.11 g/mol.
Where can I buy 5-Tert-amylsalicylic acid?
You can request a quote for 5-Tert-amylsalicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-amylsalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-amylsalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.