Hex-3-enyl 2-phenylacetate
TL;DR: Hex-3-enyl 2-phenylacetate (CAS 42436-07-7) 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-3-enyl 2-phenylacetate
Also Known As: cis-3-Hexenyl phenylacetate, hex-3-enyl 2-phenylacetate, 3-Hexenyl phenylacetate, 3-Hexenyl alpha-toluate, Z-3-Hexenyl phenylacetate
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.7 |
| 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 | 42436-07-7 |
|---|---|
| SMILES | CCC=CCCOC(=O)CC1=CC=CC=C1 |
| InChIKey | FJKFIIYSBXHBCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-3-enyl 2-phenylacetate (CAS 42436-07-7), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: hex-3-enyl 2-phenylacetate.
Chemical Property Profile of Hex-3-enyl 2-phenylacetate
Property Insights of Hex-3-enyl 2-phenylacetate
The XLogP value of 3.7 indicates that Hex-3-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-3-enyl 2-phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-3-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-3-enyl 2-phenylacetate?
The CAS number of Hex-3-enyl 2-phenylacetate is 42436-07-7.
What is the molecular formula of Hex-3-enyl 2-phenylacetate?
The molecular formula of Hex-3-enyl 2-phenylacetate is C14H18O2.
What is the molecular weight of Hex-3-enyl 2-phenylacetate?
The molecular weight of Hex-3-enyl 2-phenylacetate is 218.13 g/mol.
Where can I buy Hex-3-enyl 2-phenylacetate?
You can request a quote for Hex-3-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-3-enyl 2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Hex-3-enyl 2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.