Propiolic acid, 2-propynyl ester
TL;DR: Propiolic acid, 2-propynyl ester (CAS 4383-39-5) is a chemical compound with molecular formula C6H4O2 and molecular weight 108.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl prop-2-ynoate
Also Known As: Propargyl propiolate, Propynyl propiolate, 2-Propynyl propiolate, Propiolic acid, 2-propynyl ester, prop-2-ynyl prop-2-ynoate
| Molecular Formula | C6H4O2 |
|---|---|
| Molecular Weight | 108.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.021126 |
| Heavy Atoms | 8 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 4383-39-5 |
|---|---|
| SMILES | C#CCOC(=O)C#C |
| InChIKey | SNGMABFTOTYJGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propiolic acid, 2-propynyl ester (CAS 4383-39-5), with molecular formula C6H4O2 and molecular weight 108.02 g/mol. IUPAC: prop-2-ynyl prop-2-ynoate.
Chemical Property Profile of Propiolic acid, 2-propynyl ester
Property Insights of Propiolic acid, 2-propynyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propiolic acid, 2-propynyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propiolic acid, 2-propynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propiolic acid, 2-propynyl ester 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 Propiolic acid, 2-propynyl ester?
The CAS number of Propiolic acid, 2-propynyl ester is 4383-39-5.
What is the molecular formula of Propiolic acid, 2-propynyl ester?
The molecular formula of Propiolic acid, 2-propynyl ester is C6H4O2.
What is the molecular weight of Propiolic acid, 2-propynyl ester?
The molecular weight of Propiolic acid, 2-propynyl ester is 108.02 g/mol.
Where can I buy Propiolic acid, 2-propynyl ester?
You can request a quote for Propiolic acid, 2-propynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propiolic acid, 2-propynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propiolic acid, 2-propynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.