Propargyl acetate
TL;DR: Propargyl acetate (CAS 627-09-8) is a chemical compound with molecular formula C5H6O2 and molecular weight 98.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl acetate
Also Known As: Propargyl acetate, prop-2-ynyl acetate, propargylacetate, 3-Acetoxypropyne, 2-Propynyl acetate
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.03678 |
| Heavy Atoms | 7 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 627-09-8 |
|---|---|
| SMILES | CC(=O)OCC#C |
| InChIKey | RIZZXCJMFIGMON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propargyl acetate (CAS 627-09-8), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: prop-2-ynyl acetate.
Chemical Property Profile of Propargyl acetate
Property Insights of Propargyl acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propargyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Propargyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propargyl acetate 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 acetate?
The CAS number of Propargyl acetate is 627-09-8.
What is the molecular formula of Propargyl acetate?
The molecular formula of Propargyl acetate is C5H6O2.
What is the molecular weight of Propargyl acetate?
The molecular weight of Propargyl acetate is 98.04 g/mol.
Where can I buy Propargyl acetate?
You can request a quote for Propargyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propargyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Propargyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.