Methyl 3-ethoxybenzoate
TL;DR: Methyl 3-ethoxybenzoate (CAS 108593-47-1) 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 3-ethoxybenzoate
Also Known As: methyl 3-ethoxybenzoate, Methyl-3-Ethoxy benzoate, METHYL3-ETHOXYBENZOATE, METHYL-M-ETHOXYBENZOATE, Benzoic acid, 3-ethoxy-, methyl ester
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.8719 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 293.97626 |
Chemical Identifiers
| CAS Number | 108593-47-1 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C(=O)OC |
Product Overview
Methyl 3-ethoxybenzoate (CAS 108593-47-1), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: methyl 3-ethoxybenzoate.
Chemical Property Profile of Methyl 3-ethoxybenzoate
Property Insights of Methyl 3-ethoxybenzoate
The XLogP value of 1.8719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-ethoxybenzoate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 3-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-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 3-ethoxybenzoate?
The CAS number of Methyl 3-ethoxybenzoate is 108593-47-1.
What is the molecular formula of Methyl 3-ethoxybenzoate?
The molecular formula of Methyl 3-ethoxybenzoate is C10H12O3.
What is the molecular weight of Methyl 3-ethoxybenzoate?
The molecular weight of Methyl 3-ethoxybenzoate is 180.08 g/mol.
Where can I buy Methyl 3-ethoxybenzoate?
You can request a quote for Methyl 3-ethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.