Ethyl 2-methylbenzoate
TL;DR: Ethyl 2-methylbenzoate (CAS 87-24-1) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylbenzoate
Also Known As: Ethyl 2-methylbenzoate, Ethyl o-toluate, Ethyl o-methylbenzoate, ethyl-o-toluate, Ethyl orthotoluate
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 87-24-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C |
| InChIKey | SOUAXOGPALPTTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-methylbenzoate (CAS 87-24-1), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: ethyl 2-methylbenzoate.
Chemical Property Profile of Ethyl 2-methylbenzoate
Property Insights of Ethyl 2-methylbenzoate
The XLogP value of 3.1 indicates that Ethyl 2-methylbenzoate 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 2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methylbenzoate 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 2-methylbenzoate?
The CAS number of Ethyl 2-methylbenzoate is 87-24-1.
What is the molecular formula of Ethyl 2-methylbenzoate?
The molecular formula of Ethyl 2-methylbenzoate is C10H12O2.
What is the molecular weight of Ethyl 2-methylbenzoate?
The molecular weight of Ethyl 2-methylbenzoate is 164.08 g/mol.
Where can I buy Ethyl 2-methylbenzoate?
You can request a quote for Ethyl 2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.