Phenethyl Benzoate
TL;DR: Phenethyl Benzoate (CAS 94-47-3) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl benzoate
Also Known As: Phenethyl benzoate, 2-Phenylethyl benzoate, Phenylethyl benzoate, Phenethylbenzoate, Benzylcarbinyl benzoate
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
| Boiling Point | 189.00 °C. @ 12.00 mm Hg |
Chemical Identifiers
| CAS Number | 94-47-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2 |
| InChIKey | OSORMYZMWHVFOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl Benzoate (CAS 94-47-3), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: 2-phenylethyl benzoate.
Chemical Property Profile of Phenethyl Benzoate
Property Insights of Phenethyl Benzoate
The XLogP value of 4.0 indicates that Phenethyl Benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenethyl Benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl Benzoate has 0 hydrogen bond donor(s) and 2 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 Phenethyl Benzoate?
The CAS number of Phenethyl Benzoate is 94-47-3.
What is the molecular formula of Phenethyl Benzoate?
The molecular formula of Phenethyl Benzoate is C15H14O2.
What is the molecular weight of Phenethyl Benzoate?
The molecular weight of Phenethyl Benzoate is 226.10 g/mol.
Where can I buy Phenethyl Benzoate?
You can request a quote for Phenethyl Benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl Benzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.