Phenyl 3-phenylpropanoate
TL;DR: Phenyl 3-phenylpropanoate (CAS 726-26-1) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-phenylpropanoate
Also Known As: phenyl 3-phenylpropanoate, Phenyl benzenepropanoate, Benzenepropanoic acid, phenyl ester, phenyl 3-phenylpropionate, phenyl 3-phenylpropionoate
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 726-26-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)OC2=CC=CC=C2 |
| InChIKey | VIGODTIMSIHKSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 3-phenylpropanoate (CAS 726-26-1), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: phenyl 3-phenylpropanoate.
Chemical Property Profile of Phenyl 3-phenylpropanoate
Property Insights of Phenyl 3-phenylpropanoate
The XLogP value of 3.6 indicates that Phenyl 3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl 3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 3-phenylpropanoate 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 Phenyl 3-phenylpropanoate?
The CAS number of Phenyl 3-phenylpropanoate is 726-26-1.
What is the molecular formula of Phenyl 3-phenylpropanoate?
The molecular formula of Phenyl 3-phenylpropanoate is C15H14O2.
What is the molecular weight of Phenyl 3-phenylpropanoate?
The molecular weight of Phenyl 3-phenylpropanoate is 226.10 g/mol.
Where can I buy Phenyl 3-phenylpropanoate?
You can request a quote for Phenyl 3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.