Methyl 2-ethoxybenzoate
TL;DR: Methyl 2-ethoxybenzoate (CAS 3686-55-3) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-ethoxybenzoate
Also Known As: Methyl 2-ethoxybenzoate, Methyl2-ethoxybenzoate, Methyl o-ethoxybenzoate, 2-Ethoxybenzoic Acid Methyl Ester, Methyl=2-ethoxybenzoate
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 3686-55-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)OC |
| InChIKey | QAYQKAPOTVSWLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-ethoxybenzoate (CAS 3686-55-3), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: methyl 2-ethoxybenzoate.
Chemical Property Profile of Methyl 2-ethoxybenzoate
Property Insights of Methyl 2-ethoxybenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-ethoxybenzoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 2-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-ethoxybenzoate has 0 hydrogen bond donor(s) and 3 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 Methyl 2-ethoxybenzoate?
The CAS number of Methyl 2-ethoxybenzoate is 3686-55-3.
What is the molecular formula of Methyl 2-ethoxybenzoate?
The molecular formula of Methyl 2-ethoxybenzoate is C10H12O3.
What is the molecular weight of Methyl 2-ethoxybenzoate?
The molecular weight of Methyl 2-ethoxybenzoate is 180.08 g/mol.
Where can I buy Methyl 2-ethoxybenzoate?
You can request a quote for Methyl 2-ethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.