Ethyl mesitylacetate
TL;DR: Ethyl mesitylacetate (CAS 72007-81-9) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,4,6-trimethylphenyl)acetate
Also Known As: ethyl mesitylacetate, Ethyl 2-mesitylacetate, Vinyltriphenoxysilane, ethyl 2-(2,4,6-trimethylphenyl)acetate, ETHYLMESITYLACETATE
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 72007-81-9 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C=C(C=C1C)C)C |
| InChIKey | OFZZPFNYAMIBNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl mesitylacetate (CAS 72007-81-9), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: ethyl 2-(2,4,6-trimethylphenyl)acetate.
Chemical Property Profile of Ethyl mesitylacetate
Property Insights of Ethyl mesitylacetate
The XLogP value of 3.2 indicates that Ethyl mesitylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl mesitylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl mesitylacetate has 0 hydrogen bond donor(s) and 2 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 Ethyl mesitylacetate?
The CAS number of Ethyl mesitylacetate is 72007-81-9.
What is the molecular formula of Ethyl mesitylacetate?
The molecular formula of Ethyl mesitylacetate is C13H18O2.
What is the molecular weight of Ethyl mesitylacetate?
The molecular weight of Ethyl mesitylacetate is 206.13 g/mol.
Where can I buy Ethyl mesitylacetate?
You can request a quote for Ethyl mesitylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl mesitylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl mesitylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.