Carbethyl salicylate
TL;DR: Carbethyl salicylate (CAS 118-27-4) is a chemical compound with molecular formula C19H18O7 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-ethoxycarbonylphenoxy)carbonyloxybenzoate
Also Known As: Carbethyl salicylate, Sal Ethyl carbonate, Ethyl salicylate carbonate, NIOSH/FF9702500, diethyl 2,2'-[carbonylbis(oxy)]dibenzoate
| Molecular Formula | C19H18O7 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 358.10526 |
| Heavy Atoms | 26 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 118-27-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1OC(=O)OC2=CC=CC=C2C(=O)OCC |
| InChIKey | QWWLHNFYJSCNGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbethyl salicylate (CAS 118-27-4), with molecular formula C19H18O7 and molecular weight 358.11 g/mol. IUPAC: ethyl 2-(2-ethoxycarbonylphenoxy)carbonyloxybenzoate.
Chemical Property Profile of Carbethyl salicylate
Property Insights of Carbethyl salicylate
The XLogP value of 4.2 indicates that Carbethyl salicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbethyl salicylate. Following Lipinski's Rule of Five, Carbethyl salicylate has 0 hydrogen bond donor(s) and 7 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 Carbethyl salicylate?
The CAS number of Carbethyl salicylate is 118-27-4.
What is the molecular formula of Carbethyl salicylate?
The molecular formula of Carbethyl salicylate is C19H18O7.
What is the molecular weight of Carbethyl salicylate?
The molecular weight of Carbethyl salicylate is 358.11 g/mol.
Where can I buy Carbethyl salicylate?
You can request a quote for Carbethyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbethyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for Carbethyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.