1-Phenylethyl propionate
TL;DR: 1-Phenylethyl propionate (CAS 120-45-6) 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.
1-phenylethyl propanoate
Also Known As: 1-Phenylethyl propionate, 1-phenylethyl propanoate, Styrallyl propionate, Styralyl propionate, Styrolyl propionate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
| Boiling Point | 91.00 to 92.00 °C. @ 5.00 mm Hg |
| Density | 1.002-1.009 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.487-1.494 |
Chemical Identifiers
| CAS Number | 120-45-6 |
|---|---|
| SMILES | CCC(=O)OC(C)C1=CC=CC=C1 |
| InChIKey | WCIQNYOXLZQQMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylethyl propionate (CAS 120-45-6), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 1-phenylethyl propanoate.
Chemical Property Profile of 1-Phenylethyl propionate
Property Insights of 1-Phenylethyl propionate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylethyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Phenylethyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethyl propionate 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 propionate?
The CAS number of 1-Phenylethyl propionate is 120-45-6.
What is the molecular formula of 1-Phenylethyl propionate?
The molecular formula of 1-Phenylethyl propionate is C11H14O2.
What is the molecular weight of 1-Phenylethyl propionate?
The molecular weight of 1-Phenylethyl propionate is 178.10 g/mol.
Where can I buy 1-Phenylethyl propionate?
You can request a quote for 1-Phenylethyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.