2-Isopropoxyethyl salicylate
TL;DR: 2-Isopropoxyethyl salicylate (CAS 79915-74-5) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxyethyl 2-hydroxybenzoate
Also Known As: 2-Isopropoxyethyl salicylate, isopropoxyethyl salicylate, 2-isopropoxyethylsalicylate, Isopropoxy ethyl salicylate, 2-propan-2-yloxyethyl 2-hydroxybenzoate
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 79915-74-5 |
|---|---|
| SMILES | CC(C)OCCOC(=O)C1=CC=CC=C1O |
| InChIKey | KFBPVHFUHYKWIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropoxyethyl salicylate (CAS 79915-74-5), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 2-propan-2-yloxyethyl 2-hydroxybenzoate.
Chemical Property Profile of 2-Isopropoxyethyl salicylate
Property Insights of 2-Isopropoxyethyl salicylate
The XLogP value of 3.2 indicates that 2-Isopropoxyethyl salicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2-Isopropoxyethyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropoxyethyl salicylate has 1 hydrogen bond donor(s) and 4 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 2-Isopropoxyethyl salicylate?
The CAS number of 2-Isopropoxyethyl salicylate is 79915-74-5.
What is the molecular formula of 2-Isopropoxyethyl salicylate?
The molecular formula of 2-Isopropoxyethyl salicylate is C12H16O4.
What is the molecular weight of 2-Isopropoxyethyl salicylate?
The molecular weight of 2-Isopropoxyethyl salicylate is 224.10 g/mol.
Where can I buy 2-Isopropoxyethyl salicylate?
You can request a quote for 2-Isopropoxyethyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropoxyethyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropoxyethyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.