p-tert-Butylphenyl salicylate
TL;DR: p-tert-Butylphenyl salicylate (CAS 87-18-3) is a chemical compound with molecular formula C17H18O3 and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 2-hydroxybenzoate
Also Known As: 4-tert-Butylphenyl salicylate, Sumisorb 90, Viosorb 90, Salicylic Acid 4-tert-Butylphenyl Ester, Seesorb 202
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
| Melting Point | 65 - 66 °C |
Chemical Identifiers
| CAS Number | 87-18-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
| InChIKey | DBOSBRHMHBENLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-tert-Butylphenyl salicylate (CAS 87-18-3), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: (4-tert-butylphenyl) 2-hydroxybenzoate.
Chemical Property Profile of p-tert-Butylphenyl salicylate
Property Insights of p-tert-Butylphenyl salicylate
The XLogP value of 5.5 indicates that p-tert-Butylphenyl 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, p-tert-Butylphenyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-tert-Butylphenyl 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 p-tert-Butylphenyl salicylate?
The CAS number of p-tert-Butylphenyl salicylate is 87-18-3.
What is the molecular formula of p-tert-Butylphenyl salicylate?
The molecular formula of p-tert-Butylphenyl salicylate is C17H18O3.
What is the molecular weight of p-tert-Butylphenyl salicylate?
The molecular weight of p-tert-Butylphenyl salicylate is 270.13 g/mol.
Where can I buy p-tert-Butylphenyl salicylate?
You can request a quote for p-tert-Butylphenyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-tert-Butylphenyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for p-tert-Butylphenyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.