3-Phenylpropyl propanoate
TL;DR: 3-Phenylpropyl propanoate (CAS 122-74-7) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl propanoate
Also Known As: 3-Phenylpropyl propanoate, 3-Phenylpropyl propionate, Hydrocinnamyl propionate, Phenylpropyl propionate, Benzenepropanol, 1-propanoate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
| Boiling Point | 279.00 to 280.00 °C. @ 760.00 mm Hg |
| Density | 0.995-1.005 |
| Solubility | very slightly |
| Refractive Index | 1.488-1.495 |
Chemical Identifiers
| CAS Number | 122-74-7 |
|---|---|
| SMILES | CCC(=O)OCCCC1=CC=CC=C1 |
| InChIKey | GTNCESCYZPMXCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylpropyl propanoate (CAS 122-74-7), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 3-phenylpropyl propanoate.
Chemical Property Profile of 3-Phenylpropyl propanoate
Property Insights of 3-Phenylpropyl propanoate
The XLogP value of 3.0 indicates that 3-Phenylpropyl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylpropyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl propanoate 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 3-Phenylpropyl propanoate?
The CAS number of 3-Phenylpropyl propanoate is 122-74-7.
What is the molecular formula of 3-Phenylpropyl propanoate?
The molecular formula of 3-Phenylpropyl propanoate is C12H16O2.
What is the molecular weight of 3-Phenylpropyl propanoate?
The molecular weight of 3-Phenylpropyl propanoate is 192.12 g/mol.
Where can I buy 3-Phenylpropyl propanoate?
You can request a quote for 3-Phenylpropyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.