Ethyl m-toluate
TL;DR: Ethyl m-toluate (CAS 120-33-2) 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 3-methylbenzoate
Also Known As: Ethyl 3-methylbenzoate, Ethyl m-toluate, Ethyl m-methylbenzoate, Benzoic acid, 3-methyl-, ethyl ester, Ethyl-3-methylbenzoate
| 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 | 120-33-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC(=C1)C |
| InChIKey | WSJNYOVBJSOQST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl m-toluate (CAS 120-33-2), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: ethyl 3-methylbenzoate.
Chemical Property Profile of Ethyl m-toluate
Property Insights of Ethyl m-toluate
The XLogP value of 3.1 indicates that Ethyl m-toluate 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 m-toluate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl m-toluate 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 m-toluate?
The CAS number of Ethyl m-toluate is 120-33-2.
What is the molecular formula of Ethyl m-toluate?
The molecular formula of Ethyl m-toluate is C10H12O2.
What is the molecular weight of Ethyl m-toluate?
The molecular weight of Ethyl m-toluate is 164.08 g/mol.
Where can I buy Ethyl m-toluate?
You can request a quote for Ethyl m-toluate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl m-toluate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl m-toluate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.