Ethyl o-tolylacetate
TL;DR: Ethyl o-tolylacetate (CAS 40291-39-2) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methylphenyl)acetate
Also Known As: Ethyl o-tolylacetate, Ethyl 2-(o-tolyl)acetate, ethyl 2-(2-methylphenyl)acetate, Ethylo-tolylacetate, Ethyl 2-Methylphenylacetate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 40291-39-2 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=CC=C1C |
| InChIKey | HTDQOYWJDUMNHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl o-tolylacetate (CAS 40291-39-2), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: ethyl 2-(2-methylphenyl)acetate.
Chemical Property Profile of Ethyl o-tolylacetate
Property Insights of Ethyl o-tolylacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl o-tolylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl o-tolylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl o-tolylacetate 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 o-tolylacetate?
The CAS number of Ethyl o-tolylacetate is 40291-39-2.
What is the molecular formula of Ethyl o-tolylacetate?
The molecular formula of Ethyl o-tolylacetate is C11H14O2.
What is the molecular weight of Ethyl o-tolylacetate?
The molecular weight of Ethyl o-tolylacetate is 178.10 g/mol.
Where can I buy Ethyl o-tolylacetate?
You can request a quote for Ethyl o-tolylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl o-tolylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl o-tolylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.