Prenyl salicylate
TL;DR: Prenyl salicylate (CAS 68555-58-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enyl 2-hydroxybenzoate
Also Known As: Prenyl salicylate, 3-Methyl-2-butenyl salicylate, 3-methylbut-2-enyl 2-hydroxybenzoate, salicylic acid prenyl ester, 3-methyl-2-butenylsalicylate
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 68555-58-8 |
|---|---|
| SMILES | CC(=CCOC(=O)C1=CC=CC=C1O)C |
| InChIKey | MCAYDAOGSVHGEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prenyl salicylate (CAS 68555-58-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 3-methylbut-2-enyl 2-hydroxybenzoate.
Chemical Property Profile of Prenyl salicylate
Property Insights of Prenyl salicylate
The XLogP value of 3.2 indicates that Prenyl 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, Prenyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prenyl salicylate has 1 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 Prenyl salicylate?
The CAS number of Prenyl salicylate is 68555-58-8.
What is the molecular formula of Prenyl salicylate?
The molecular formula of Prenyl salicylate is C12H14O3.
What is the molecular weight of Prenyl salicylate?
The molecular weight of Prenyl salicylate is 206.09 g/mol.
Where can I buy Prenyl salicylate?
You can request a quote for Prenyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prenyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for Prenyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.