Vinyl 8-phenyloctanoate
TL;DR: Vinyl 8-phenyloctanoate (CAS 63339-71-9) is a chemical compound with molecular formula C16H22O2 and molecular weight 246.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethenyl 8-phenyloctanoate
Also Known As: Vinyl 8-phenyloctanoate, ethenyl 8-phenyloctanoate, Vinyl-8-Phenyloctanoat, 8-Phenyloctanoic acid vinyl ester, Benzeneoctanoic acid,ethenyl ester
| Molecular Formula | C16H22O2 |
|---|---|
| Molecular Weight | 246.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 246.16199 |
| Heavy Atoms | 18 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 63339-71-9 |
|---|---|
| SMILES | C=COC(=O)CCCCCCCC1=CC=CC=C1 |
| InChIKey | BACYZEYSRAMPCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl 8-phenyloctanoate (CAS 63339-71-9), with molecular formula C16H22O2 and molecular weight 246.16 g/mol. IUPAC: ethenyl 8-phenyloctanoate.
Chemical Property Profile of Vinyl 8-phenyloctanoate
Property Insights of Vinyl 8-phenyloctanoate
The XLogP value of 4.9 indicates that Vinyl 8-phenyloctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Vinyl 8-phenyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl 8-phenyloctanoate 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 Vinyl 8-phenyloctanoate?
The CAS number of Vinyl 8-phenyloctanoate is 63339-71-9.
What is the molecular formula of Vinyl 8-phenyloctanoate?
The molecular formula of Vinyl 8-phenyloctanoate is C16H22O2.
What is the molecular weight of Vinyl 8-phenyloctanoate?
The molecular weight of Vinyl 8-phenyloctanoate is 246.16 g/mol.
Where can I buy Vinyl 8-phenyloctanoate?
You can request a quote for Vinyl 8-phenyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl 8-phenyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl 8-phenyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.