2-Phenylethyl phenoxyacetate
TL;DR: 2-Phenylethyl phenoxyacetate (CAS 5456-33-7) 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.
2-phenylethyl 2-phenoxyacetate
Also Known As: 2-Phenylethyl phenoxyacetate, 2-phenylethylphenoxyacetate, phenethyl 2-phenoxyacetate, 2-phenylethyl 2-phenoxyacetate, Phenoxyacetic acid 2-phenylethyl ester
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 5456-33-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)COC2=CC=CC=C2 |
| InChIKey | UOUUDTUSCBNFSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylethyl phenoxyacetate (CAS 5456-33-7), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 2-phenylethyl 2-phenoxyacetate.
Chemical Property Profile of 2-Phenylethyl phenoxyacetate
Property Insights of 2-Phenylethyl phenoxyacetate
The XLogP value of 3.8 indicates that 2-Phenylethyl phenoxyacetate 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-Phenylethyl phenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl phenoxyacetate 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-Phenylethyl phenoxyacetate?
The CAS number of 2-Phenylethyl phenoxyacetate is 5456-33-7.
What is the molecular formula of 2-Phenylethyl phenoxyacetate?
The molecular formula of 2-Phenylethyl phenoxyacetate is C16H16O3.
What is the molecular weight of 2-Phenylethyl phenoxyacetate?
The molecular weight of 2-Phenylethyl phenoxyacetate is 256.11 g/mol.
Where can I buy 2-Phenylethyl phenoxyacetate?
You can request a quote for 2-Phenylethyl phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.