Propargyl acrylate
TL;DR: Propargyl acrylate (CAS 10477-47-1) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl prop-2-enoate
Also Known As: Propargyl acrylate, 2-Propynyl acrylate, prop-2-ynyl prop-2-enoate, propargylacrylate, prop-2-yn-1-yl acrylate
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 10477-47-1 |
|---|---|
| SMILES | C=CC(=O)OCC#C |
| InChIKey | WPBNLDNIZUGLJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propargyl acrylate (CAS 10477-47-1), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: prop-2-ynyl prop-2-enoate.
Chemical Property Profile of Propargyl acrylate
Property Insights of Propargyl acrylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propargyl acrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Propargyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propargyl acrylate 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 Propargyl acrylate?
The CAS number of Propargyl acrylate is 10477-47-1.
What is the molecular formula of Propargyl acrylate?
The molecular formula of Propargyl acrylate is C6H6O2.
What is the molecular weight of Propargyl acrylate?
The molecular weight of Propargyl acrylate is 110.04 g/mol.
Where can I buy Propargyl acrylate?
You can request a quote for Propargyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propargyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for Propargyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.