4-(tert-Octyl)phenyl salicylate
TL;DR: 4-(tert-Octyl)phenyl salicylate (CAS 2553-08-4) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,4,4-trimethylpentan-2-yl)phenyl] 2-hydroxybenzoate
Also Known As: p-octylphenyl salicylate, 4-(tert-Octyl)phenyl salicylate, EASTMAN INHIBITOR OPS, p-t-octylphenyl salicylate, P-TERT-OCTYLPHENYL SALICYLATE
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 2553-08-4 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
| InChIKey | IIHJDDQNGRKRIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(tert-Octyl)phenyl salicylate (CAS 2553-08-4), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 2-hydroxybenzoate.
Chemical Property Profile of 4-(tert-Octyl)phenyl salicylate
Property Insights of 4-(tert-Octyl)phenyl salicylate
The XLogP value of 7.2 indicates that 4-(tert-Octyl)phenyl salicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(tert-Octyl)phenyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(tert-Octyl)phenyl salicylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(tert-Octyl)phenyl salicylate?
The CAS number of 4-(tert-Octyl)phenyl salicylate is 2553-08-4.
What is the molecular formula of 4-(tert-Octyl)phenyl salicylate?
The molecular formula of 4-(tert-Octyl)phenyl salicylate is C21H26O3.
What is the molecular weight of 4-(tert-Octyl)phenyl salicylate?
The molecular weight of 4-(tert-Octyl)phenyl salicylate is 326.19 g/mol.
Where can I buy 4-(tert-Octyl)phenyl salicylate?
You can request a quote for 4-(tert-Octyl)phenyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(tert-Octyl)phenyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-Octyl)phenyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.