2-Methoxyphenyl benzeneacetate
TL;DR: 2-Methoxyphenyl benzeneacetate (CAS 4112-89-4) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl) 2-phenylacetate
Also Known As: Guaiacyl phenylacetate, Guaiacol phenylacetate, Gujaphenyl, Gunyl, FEMA 2535
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 258.0 |
| Melting Point | 32 °C |
| Boiling Point | 150.00 °C. @ 0.40 mm Hg |
| Solubility | insoluble in water |
Chemical Identifiers
| CAS Number | 4112-89-4 |
|---|---|
| SMILES | COC1=CC=CC=C1OC(=O)CC2=CC=CC=C2 |
| InChIKey | KNVYLIIBQXVDKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxyphenyl benzeneacetate (CAS 4112-89-4), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: (2-methoxyphenyl) 2-phenylacetate.
Chemical Property Profile of 2-Methoxyphenyl benzeneacetate
Property Insights of 2-Methoxyphenyl benzeneacetate
The XLogP value of 3.0 indicates that 2-Methoxyphenyl benzeneacetate 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 benzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyphenyl benzeneacetate 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 benzeneacetate?
The CAS number of 2-Methoxyphenyl benzeneacetate is 4112-89-4.
What is the molecular formula of 2-Methoxyphenyl benzeneacetate?
The molecular formula of 2-Methoxyphenyl benzeneacetate is C15H14O3.
What is the molecular weight of 2-Methoxyphenyl benzeneacetate?
The molecular weight of 2-Methoxyphenyl benzeneacetate is 242.09 g/mol.
Where can I buy 2-Methoxyphenyl benzeneacetate?
You can request a quote for 2-Methoxyphenyl benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyphenyl benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyphenyl benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.