5-tert-Octylsalicylic Acid
TL;DR: 5-tert-Octylsalicylic Acid (CAS 16094-35-2) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzoic acid
Also Known As: 5-tert-Octylsalicylic Acid, 5-tert-octylsalicylicacid, 2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzoic Acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzoic acid, Benzoic acid,2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 3.8042 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 453.29678 |
Chemical Identifiers
| CAS Number | 16094-35-2 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)C(=O)O |
Product Overview
5-tert-Octylsalicylic Acid (CAS 16094-35-2), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: 2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzoic acid.
Chemical Property Profile of 5-tert-Octylsalicylic Acid
Property Insights of 5-tert-Octylsalicylic Acid
The XLogP value of 3.8042 indicates that 5-tert-Octylsalicylic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 5-tert-Octylsalicylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-Octylsalicylic Acid has 2 hydrogen bond donor(s) and 2 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-Octylsalicylic Acid?
The CAS number of 5-tert-Octylsalicylic Acid is 16094-35-2.
What is the molecular formula of 5-tert-Octylsalicylic Acid?
The molecular formula of 5-tert-Octylsalicylic Acid is C15H22O3.
What is the molecular weight of 5-tert-Octylsalicylic Acid?
The molecular weight of 5-tert-Octylsalicylic Acid is 250.16 g/mol.
Where can I buy 5-tert-Octylsalicylic Acid?
You can request a quote for 5-tert-Octylsalicylic 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-Octylsalicylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Octylsalicylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.