Allyl ethoxyacetate
TL;DR: Allyl ethoxyacetate (CAS 22874-92-6) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-ethoxyacetate
Also Known As: Allyl ethoxyacetate, allylethoxyacetate, prop-2-enyl 2-ethoxyacetate, prop-2-en-1-yl ethoxyacetate, 2-Propen-1-yl 2-ethoxyacetate
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 22874-92-6 |
|---|---|
| SMILES | CCOCC(=O)OCC=C |
| InChIKey | YOAXXWDLGHHXHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl ethoxyacetate (CAS 22874-92-6), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: prop-2-enyl 2-ethoxyacetate.
Chemical Property Profile of Allyl ethoxyacetate
Property Insights of Allyl ethoxyacetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl ethoxyacetate. With a topological polar surface area (TPSA) of 35.5 Ų, Allyl ethoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl ethoxyacetate 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 ethoxyacetate?
The CAS number of Allyl ethoxyacetate is 22874-92-6.
What is the molecular formula of Allyl ethoxyacetate?
The molecular formula of Allyl ethoxyacetate is C7H12O3.
What is the molecular weight of Allyl ethoxyacetate?
The molecular weight of Allyl ethoxyacetate is 144.08 g/mol.
Where can I buy Allyl ethoxyacetate?
You can request a quote for Allyl ethoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl ethoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl ethoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.