2-Phenoxyethyl benzoate
TL;DR: 2-Phenoxyethyl benzoate (CAS 4173-59-5) 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-phenoxyethyl benzoate
Also Known As: 2-Phenoxyethyl benzoate, Ethanol, benzoate, Ethanol, 2-phenoxy-, benzoate, Benzoicacid2-phenoxyethylester, 2-Phenoxyethyl benzoate #
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 4173-59-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCOC2=CC=CC=C2 |
| InChIKey | WMAXFAQWCDUBLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenoxyethyl benzoate (CAS 4173-59-5), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: 2-phenoxyethyl benzoate.
Chemical Property Profile of 2-Phenoxyethyl benzoate
Property Insights of 2-Phenoxyethyl benzoate
The XLogP value of 3.6 indicates that 2-Phenoxyethyl 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-Phenoxyethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenoxyethyl 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-Phenoxyethyl benzoate?
The CAS number of 2-Phenoxyethyl benzoate is 4173-59-5.
What is the molecular formula of 2-Phenoxyethyl benzoate?
The molecular formula of 2-Phenoxyethyl benzoate is C15H14O3.
What is the molecular weight of 2-Phenoxyethyl benzoate?
The molecular weight of 2-Phenoxyethyl benzoate is 242.09 g/mol.
Where can I buy 2-Phenoxyethyl benzoate?
You can request a quote for 2-Phenoxyethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenoxyethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenoxyethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.