1-Phenylethyl benzeneacetate
TL;DR: 1-Phenylethyl benzeneacetate (CAS 56961-74-1) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylethyl 2-phenylacetate
Also Known As: 1-Phenylethyl phenylacetate, 1-phenylethyl 2-phenylacetate, 1-phenylethylphenylacetate, 1-Phenylethyl benzeneacetate, 1-phenylethyl 2-phenylethanoate
| Molecular Formula | C16H16O2 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 3.5335 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.11504 |
| Heavy Atoms | 18 |
| Complexity | 491.0201 |
Chemical Identifiers
| CAS Number | 56961-74-1 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)OC(=O)CC2=CC=CC=C2 |
Product Overview
1-Phenylethyl benzeneacetate (CAS 56961-74-1), with molecular formula C16H16O2 and molecular weight 240.12 g/mol. IUPAC: 1-phenylethyl 2-phenylacetate.
Chemical Property Profile of 1-Phenylethyl benzeneacetate
Property Insights of 1-Phenylethyl benzeneacetate
The XLogP value of 3.5335 indicates that 1-Phenylethyl benzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Phenylethyl benzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethyl benzeneacetate 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 1-Phenylethyl benzeneacetate?
The CAS number of 1-Phenylethyl benzeneacetate is 56961-74-1.
What is the molecular formula of 1-Phenylethyl benzeneacetate?
The molecular formula of 1-Phenylethyl benzeneacetate is C16H16O2.
What is the molecular weight of 1-Phenylethyl benzeneacetate?
The molecular weight of 1-Phenylethyl benzeneacetate is 240.12 g/mol.
Where can I buy 1-Phenylethyl benzeneacetate?
You can request a quote for 1-Phenylethyl benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethyl benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethyl benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.