Allyl phenoxyacetate
TL;DR: Allyl phenoxyacetate (CAS 7493-74-5) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-phenoxyacetate
Also Known As: Allyl phenoxyacetate, Allyl 2-phenoxyacetate, Acetate pa, Acetate P.A., allyl phenoxy acetate
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
| Boiling Point | 100.00 to 102.00 °C. @ 1.00 mm Hg |
| Density | 1.000-1.110 |
| Solubility | 585 mg/L @ 20 °C (exp) |
| Refractive Index | 1.512-1.519 |
Chemical Identifiers
| CAS Number | 7493-74-5 |
|---|---|
| SMILES | C=CCOC(=O)COC1=CC=CC=C1 |
| InChIKey | VUFZVGQUAVDKMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl phenoxyacetate (CAS 7493-74-5), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: prop-2-enyl 2-phenoxyacetate.
Chemical Property Profile of Allyl phenoxyacetate
Property Insights of Allyl phenoxyacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl phenoxyacetate. With a topological polar surface area (TPSA) of 35.5 Ų, Allyl phenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl phenoxyacetate has 0 hydrogen bond donor(s) and 3 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 phenoxyacetate?
The CAS number of Allyl phenoxyacetate is 7493-74-5.
What is the molecular formula of Allyl phenoxyacetate?
The molecular formula of Allyl phenoxyacetate is C11H12O3.
What is the molecular weight of Allyl phenoxyacetate?
The molecular weight of Allyl phenoxyacetate is 192.08 g/mol.
Where can I buy Allyl phenoxyacetate?
You can request a quote for Allyl phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.