Allyl phenylacetate
TL;DR: Allyl phenylacetate (CAS 1797-74-6) 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.
prop-2-enyl 2-phenylacetate
Also Known As: Allyl phenylacetate, 2-Propenyl phenylacetate, Allyl alpha-toluate, Phenylacetic acid allyl ester, Esculenticacid
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
| Boiling Point | 239.00 to 240.00 °C. @ 760.00 mm Hg |
| Density | 1.033-1.041 |
| Refractive Index | 1.5122 (13.5°) |
Chemical Identifiers
| CAS Number | 1797-74-6 |
|---|---|
| SMILES | C=CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | ZCDYAMJXVAUTIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl phenylacetate (CAS 1797-74-6), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: prop-2-enyl 2-phenylacetate.
Chemical Property Profile of Allyl phenylacetate
Property Insights of Allyl phenylacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl phenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 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 Allyl phenylacetate?
The CAS number of Allyl phenylacetate is 1797-74-6.
What is the molecular formula of Allyl phenylacetate?
The molecular formula of Allyl phenylacetate is C11H12O2.
What is the molecular weight of Allyl phenylacetate?
The molecular weight of Allyl phenylacetate is 176.08 g/mol.
Where can I buy Allyl phenylacetate?
You can request a quote for Allyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.