Isopropyl salicylate
TL;DR: Isopropyl salicylate (CAS 607-85-2) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-hydroxybenzoate
Also Known As: ISOPROPYL SALICYLATE, Isopropyl 2-Hydroxybenzoate, propan-2-yl 2-hydroxybenzoate, Iso-propyl salicylate, Isocarbophos
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 607-85-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC=C1O |
| InChIKey | YEULQIJMIOWCHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl salicylate (CAS 607-85-2), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: propan-2-yl 2-hydroxybenzoate.
Chemical Property Profile of Isopropyl salicylate
Property Insights of Isopropyl salicylate
The XLogP value of 3.1 indicates that Isopropyl 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, Isopropyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl salicylate?
The CAS number of Isopropyl salicylate is 607-85-2.
What is the molecular formula of Isopropyl salicylate?
The molecular formula of Isopropyl salicylate is C10H12O3.
What is the molecular weight of Isopropyl salicylate?
The molecular weight of Isopropyl salicylate is 180.08 g/mol.
Where can I buy Isopropyl salicylate?
You can request a quote for Isopropyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.