Anisyl phenylacetate
TL;DR: Anisyl phenylacetate (CAS 102-17-0) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 2-phenylacetate
Also Known As: Anisyl phenylacetate, 4-Methoxybenzyl phenylacetate, Anisyl alpha-toluate, p-Methoxybenzyl phenylacetate, p-Anisyl phenylacetate
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 263.0 |
| Boiling Point | 370.00 °C. @ 760.00 mm Hg |
| Density | 1.125-1.133 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.553-1.563 |
Chemical Identifiers
| CAS Number | 102-17-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)COC(=O)CC2=CC=CC=C2 |
| InChIKey | VCYWCSZLXMMLLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anisyl phenylacetate (CAS 102-17-0), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: (4-methoxyphenyl)methyl 2-phenylacetate.
Chemical Property Profile of Anisyl phenylacetate
Property Insights of Anisyl phenylacetate
The XLogP value of 3.0 indicates that Anisyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Anisyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anisyl phenylacetate 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 Anisyl phenylacetate?
The CAS number of Anisyl phenylacetate is 102-17-0.
What is the molecular formula of Anisyl phenylacetate?
The molecular formula of Anisyl phenylacetate is C16H16O3.
What is the molecular weight of Anisyl phenylacetate?
The molecular weight of Anisyl phenylacetate is 256.11 g/mol.
Where can I buy Anisyl phenylacetate?
You can request a quote for Anisyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anisyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Anisyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.