Methyl 2-Methoxybenzoate
TL;DR: Methyl 2-Methoxybenzoate (CAS 606-45-1) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methoxybenzoate
Also Known As: Methyl 2-methoxybenzoate, Methyl o-anisate, Dimethyl salicylate, Methyl o-methoxybenzoate, o-Anisic acid, methyl ester
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| Melting Point | 48.00 to 49.00 °C. @ 760.00 mm Hg |
| Boiling Point | 254.00 to 255.00 °C. @ 760.00 mm Hg |
| Density | 1.144-1.160 |
| Solubility | very slightly soluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.529-1.537 |
Chemical Identifiers
| CAS Number | 606-45-1 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)OC |
| InChIKey | PFYHAAAQPNMZHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-Methoxybenzoate (CAS 606-45-1), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: methyl 2-methoxybenzoate.
Chemical Property Profile of Methyl 2-Methoxybenzoate
Property Insights of Methyl 2-Methoxybenzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-Methoxybenzoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 2-Methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-Methoxybenzoate 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-Methoxybenzoate?
The CAS number of Methyl 2-Methoxybenzoate is 606-45-1.
What is the molecular formula of Methyl 2-Methoxybenzoate?
The molecular formula of Methyl 2-Methoxybenzoate is C9H10O3.
What is the molecular weight of Methyl 2-Methoxybenzoate?
The molecular weight of Methyl 2-Methoxybenzoate is 166.06 g/mol.
Where can I buy Methyl 2-Methoxybenzoate?
You can request a quote for Methyl 2-Methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-Methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-Methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.