Ethyl p-tolylacetate
TL;DR: Ethyl p-tolylacetate (CAS 14062-19-2) 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-(4-methylphenyl)acetate
Also Known As: Ethyl p-tolylacetate, Ethyl 4-Methylphenylacetate, Ethyl 2-(p-tolyl)acetate, ethyl 2-(4-methylphenyl)acetate, Ethyl-p-tolylacetate
| 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 | 157.0 |
Chemical Identifiers
| CAS Number | 14062-19-2 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=C(C=C1)C |
| InChIKey | BTRGZBIXPLFVNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl p-tolylacetate (CAS 14062-19-2), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: ethyl 2-(4-methylphenyl)acetate.
Chemical Property Profile of Ethyl p-tolylacetate
Property Insights of Ethyl p-tolylacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl p-tolylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl p-tolylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl p-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 p-tolylacetate?
The CAS number of Ethyl p-tolylacetate is 14062-19-2.
What is the molecular formula of Ethyl p-tolylacetate?
The molecular formula of Ethyl p-tolylacetate is C11H14O2.
What is the molecular weight of Ethyl p-tolylacetate?
The molecular weight of Ethyl p-tolylacetate is 178.10 g/mol.
Where can I buy Ethyl p-tolylacetate?
You can request a quote for Ethyl p-tolylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl p-tolylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl p-tolylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.