Benzenemethanol, alpha-ethenyl-, 1-acetate
TL;DR: Benzenemethanol, alpha-ethenyl-, 1-acetate (CAS 7217-71-2) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylprop-2-enyl acetate
Also Known As: 1-Phenylallyl acetate, 1'-Acetoxyallylbenzene, alpha-Vinylbenzyl acetate, 1-Phenyl-2-propenyl acetate, phenylallyl acetate
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 7217-71-2 |
|---|---|
| SMILES | CC(=O)OC(C=C)C1=CC=CC=C1 |
| InChIKey | WAUKBOOEPYNAGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanol, alpha-ethenyl-, 1-acetate (CAS 7217-71-2), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 1-phenylprop-2-enyl acetate.
Chemical Property Profile of Benzenemethanol, alpha-ethenyl-, 1-acetate
Property Insights of Benzenemethanol, alpha-ethenyl-, 1-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, alpha-ethenyl-, 1-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzenemethanol, alpha-ethenyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, alpha-ethenyl-, 1-acetate 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 Benzenemethanol, alpha-ethenyl-, 1-acetate?
The CAS number of Benzenemethanol, alpha-ethenyl-, 1-acetate is 7217-71-2.
What is the molecular formula of Benzenemethanol, alpha-ethenyl-, 1-acetate?
The molecular formula of Benzenemethanol, alpha-ethenyl-, 1-acetate is C11H12O2.
What is the molecular weight of Benzenemethanol, alpha-ethenyl-, 1-acetate?
The molecular weight of Benzenemethanol, alpha-ethenyl-, 1-acetate is 176.08 g/mol.
Where can I buy Benzenemethanol, alpha-ethenyl-, 1-acetate?
You can request a quote for Benzenemethanol, alpha-ethenyl-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, alpha-ethenyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, alpha-ethenyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.