3-Phenylpropyl phenylacetate
TL;DR: 3-Phenylpropyl phenylacetate (CAS 122-44-1) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 2-phenylacetate
Also Known As: 3-Phenylpropyl phenylacetate, 3-phenylpropyl 2-phenylacetate, phenylpropyl phenylacetate, 3-Phenylpropyl benzeneacetate, 3-Phenylpropyl phenylacetate #
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 122-44-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)CC2=CC=CC=C2 |
| InChIKey | KBXZBPLAQDTVAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylpropyl phenylacetate (CAS 122-44-1), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 3-phenylpropyl 2-phenylacetate.
Chemical Property Profile of 3-Phenylpropyl phenylacetate
Property Insights of 3-Phenylpropyl phenylacetate
The XLogP value of 4.2 indicates that 3-Phenylpropyl phenylacetate 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 phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl phenylacetate 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 phenylacetate?
The CAS number of 3-Phenylpropyl phenylacetate is 122-44-1.
What is the molecular formula of 3-Phenylpropyl phenylacetate?
The molecular formula of 3-Phenylpropyl phenylacetate is C17H18O2.
What is the molecular weight of 3-Phenylpropyl phenylacetate?
The molecular weight of 3-Phenylpropyl phenylacetate is 254.13 g/mol.
Where can I buy 3-Phenylpropyl phenylacetate?
You can request a quote for 3-Phenylpropyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.