Isopropylbenzyl salicylate
TL;DR: Isopropylbenzyl salicylate (CAS 94134-93-7) 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-propan-2-ylphenyl)methyl 2-hydroxybenzoate
Also Known As: isopropylbenzyl salicylate, Megasol, IPBS, 4-isopropylbenzyl salicylate, 4-isopropylbenzylsalicylat
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 3.8726 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 585.439 |
Chemical Identifiers
| CAS Number | 94134-93-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O |
Product Overview
Isopropylbenzyl salicylate (CAS 94134-93-7), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: (4-propan-2-ylphenyl)methyl 2-hydroxybenzoate.
Chemical Property Profile of Isopropylbenzyl salicylate
Property Insights of Isopropylbenzyl salicylate
The XLogP value of 3.8726 indicates that Isopropylbenzyl salicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Isopropylbenzyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropylbenzyl 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 Isopropylbenzyl salicylate?
The CAS number of Isopropylbenzyl salicylate is 94134-93-7.
What is the molecular formula of Isopropylbenzyl salicylate?
The molecular formula of Isopropylbenzyl salicylate is C17H18O3.
What is the molecular weight of Isopropylbenzyl salicylate?
The molecular weight of Isopropylbenzyl salicylate is 270.13 g/mol.
Where can I buy Isopropylbenzyl salicylate?
You can request a quote for Isopropylbenzyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylbenzyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropylbenzyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.