2-Methoxyphenyl benzoate
TL;DR: 2-Methoxyphenyl benzoate (CAS 531-37-3) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl) benzoate
Also Known As: 2-Methoxyphenyl benzoate, Guaiacol benzoate, Benzosol, Benzoylguaiacol, Benzoguaiacol
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 531-37-3 |
|---|---|
| SMILES | COC1=CC=CC=C1OC(=O)C2=CC=CC=C2 |
| InChIKey | IZYQCDNLUPLXOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxyphenyl benzoate (CAS 531-37-3), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: (2-methoxyphenyl) benzoate.
Chemical Property Profile of 2-Methoxyphenyl benzoate
Property Insights of 2-Methoxyphenyl benzoate
The XLogP value of 3.0 indicates that 2-Methoxyphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Methoxyphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyphenyl benzoate 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 2-Methoxyphenyl benzoate?
The CAS number of 2-Methoxyphenyl benzoate is 531-37-3.
What is the molecular formula of 2-Methoxyphenyl benzoate?
The molecular formula of 2-Methoxyphenyl benzoate is C14H12O3.
What is the molecular weight of 2-Methoxyphenyl benzoate?
The molecular weight of 2-Methoxyphenyl benzoate is 228.08 g/mol.
Where can I buy 2-Methoxyphenyl benzoate?
You can request a quote for 2-Methoxyphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.