1-Phenylethenyl acetate
TL;DR: 1-Phenylethenyl acetate (CAS 2206-94-2) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylethenyl acetate
Also Known As: 1-Phenylethenyl acetate, 1-Phenylvinyl acetate, alpha-Acetoxystyrene, Ethenol,acetate, A-acetoxystyrene
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 2206-94-2 |
|---|---|
| SMILES | CC(=O)OC(=C)C1=CC=CC=C1 |
| InChIKey | HWCUCNKPBMGSSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylethenyl acetate (CAS 2206-94-2), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 1-phenylethenyl acetate.
Chemical Property Profile of 1-Phenylethenyl acetate
Property Insights of 1-Phenylethenyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylethenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Phenylethenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethenyl 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 1-Phenylethenyl acetate?
The CAS number of 1-Phenylethenyl acetate is 2206-94-2.
What is the molecular formula of 1-Phenylethenyl acetate?
The molecular formula of 1-Phenylethenyl acetate is C10H10O2.
What is the molecular weight of 1-Phenylethenyl acetate?
The molecular weight of 1-Phenylethenyl acetate is 162.07 g/mol.
Where can I buy 1-Phenylethenyl acetate?
You can request a quote for 1-Phenylethenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.