Hex-2-enyl 2-phenylacetate
TL;DR: Hex-2-enyl 2-phenylacetate (CAS 68133-78-8) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-2-enyl 2-phenylacetate
Also Known As: 2-Hexenyl phenylacetate, hex-2-enyl 2-phenylacetate, trans-2-Hexenyl phenylacetate, Hex-2-en-1-yl phenylacetate, (E)-Hex-2-enyl phenylacetate
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 68133-78-8 |
|---|---|
| SMILES | CCCC=CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | BYGAPGDXGHDYGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-2-enyl 2-phenylacetate (CAS 68133-78-8), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: hex-2-enyl 2-phenylacetate.
Chemical Property Profile of Hex-2-enyl 2-phenylacetate
Property Insights of Hex-2-enyl 2-phenylacetate
The XLogP value of 3.6 indicates that Hex-2-enyl 2-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, Hex-2-enyl 2-phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-2-enyl 2-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 Hex-2-enyl 2-phenylacetate?
The CAS number of Hex-2-enyl 2-phenylacetate is 68133-78-8.
What is the molecular formula of Hex-2-enyl 2-phenylacetate?
The molecular formula of Hex-2-enyl 2-phenylacetate is C14H18O2.
What is the molecular weight of Hex-2-enyl 2-phenylacetate?
The molecular weight of Hex-2-enyl 2-phenylacetate is 218.13 g/mol.
Where can I buy Hex-2-enyl 2-phenylacetate?
You can request a quote for Hex-2-enyl 2-phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-2-enyl 2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Hex-2-enyl 2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.