Benzenepropanoic acid, 3-phenylpropyl ester
TL;DR: Benzenepropanoic acid, 3-phenylpropyl ester (CAS 60045-27-4) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 3-phenylpropanoate
Also Known As: 3-Phenylpropyl 3-phenylpropanoate, 3-Phenylpropyl hydrocinammate, Benzenepropanoic acid, 3-phenylpropyl ester, 3-Phenylpropyl 3-phenylpropionate, 3-Phenylpropyl Hydrocinnamate
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 268.14633 |
| Heavy Atoms | 20 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 60045-27-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)CCC2=CC=CC=C2 |
| InChIKey | KLDUFQGXXVNTDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanoic acid, 3-phenylpropyl ester (CAS 60045-27-4), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: 3-phenylpropyl 3-phenylpropanoate.
Chemical Property Profile of Benzenepropanoic acid, 3-phenylpropyl ester
Property Insights of Benzenepropanoic acid, 3-phenylpropyl ester
The XLogP value of 4.7 indicates that Benzenepropanoic acid, 3-phenylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzenepropanoic acid, 3-phenylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 3-phenylpropyl ester 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 Benzenepropanoic acid, 3-phenylpropyl ester?
The CAS number of Benzenepropanoic acid, 3-phenylpropyl ester is 60045-27-4.
What is the molecular formula of Benzenepropanoic acid, 3-phenylpropyl ester?
The molecular formula of Benzenepropanoic acid, 3-phenylpropyl ester is C18H20O2.
What is the molecular weight of Benzenepropanoic acid, 3-phenylpropyl ester?
The molecular weight of Benzenepropanoic acid, 3-phenylpropyl ester is 268.15 g/mol.
Where can I buy Benzenepropanoic acid, 3-phenylpropyl ester?
You can request a quote for Benzenepropanoic acid, 3-phenylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 3-phenylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 3-phenylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.