3-Phenylpropyl benzoate
TL;DR: 3-Phenylpropyl benzoate (CAS 60045-26-3) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl benzoate
Also Known As: 3-phenylpropyl benzoate, Benzenepropanol, benzoate, Benzenepropanol, 1-benzoate, phenylpropylbenzoate, 3-Phenyl-1-propanol benzoate
| Molecular Formula | C16H16O2 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.11504 |
| Heavy Atoms | 18 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 60045-26-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)C2=CC=CC=C2 |
| InChIKey | ONPVMQLRVWKFFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylpropyl benzoate (CAS 60045-26-3), with molecular formula C16H16O2 and molecular weight 240.12 g/mol. IUPAC: 3-phenylpropyl benzoate.
Chemical Property Profile of 3-Phenylpropyl benzoate
Property Insights of 3-Phenylpropyl benzoate
The XLogP value of 4.4 indicates that 3-Phenylpropyl benzoate 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 benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl benzoate 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 benzoate?
The CAS number of 3-Phenylpropyl benzoate is 60045-26-3.
What is the molecular formula of 3-Phenylpropyl benzoate?
The molecular formula of 3-Phenylpropyl benzoate is C16H16O2.
What is the molecular weight of 3-Phenylpropyl benzoate?
The molecular weight of 3-Phenylpropyl benzoate is 240.12 g/mol.
Where can I buy 3-Phenylpropyl benzoate?
You can request a quote for 3-Phenylpropyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.