Propyl phenylacetate
TL;DR: Propyl phenylacetate (CAS 5435-54-1) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-phenylacetate
Also Known As: Propyl phenylacetate, propyl 2-phenylacetate, Propyl benzeneacetate, Benzeneacetic acid, propyl ester, Propyl alpha-toluate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 5435-54-1 |
|---|---|
| SMILES | CCCOC(=O)CC1=CC=CC=C1 |
| InChIKey | GXXFZZLGPFNITM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl phenylacetate (CAS 5435-54-1), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: propyl 2-phenylacetate.
Chemical Property Profile of Propyl phenylacetate
Property Insights of Propyl phenylacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl phenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl phenylacetate 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 Propyl phenylacetate?
The CAS number of Propyl phenylacetate is 5435-54-1.
What is the molecular formula of Propyl phenylacetate?
The molecular formula of Propyl phenylacetate is C11H14O2.
What is the molecular weight of Propyl phenylacetate?
The molecular weight of Propyl phenylacetate is 178.10 g/mol.
Where can I buy Propyl phenylacetate?
You can request a quote for Propyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.