Ethyl 2-butynoate
TL;DR: Ethyl 2-butynoate (CAS 4341-76-8) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl but-2-ynoate
Also Known As: Ethyl 2-butynoate, ethyl but-2-ynoate, Ethyl tetrolate, Ethyl2-butynoate, 2-Butynoic Acid Ethyl Ester
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 4341-76-8 |
|---|---|
| SMILES | CCOC(=O)C#CC |
| InChIKey | FCJJZKCJURDYNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-butynoate (CAS 4341-76-8), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: ethyl but-2-ynoate.
Chemical Property Profile of Ethyl 2-butynoate
Property Insights of Ethyl 2-butynoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-butynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-butynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-butynoate 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 Ethyl 2-butynoate?
The CAS number of Ethyl 2-butynoate is 4341-76-8.
What is the molecular formula of Ethyl 2-butynoate?
The molecular formula of Ethyl 2-butynoate is C6H8O2.
What is the molecular weight of Ethyl 2-butynoate?
The molecular weight of Ethyl 2-butynoate is 112.05 g/mol.
Where can I buy Ethyl 2-butynoate?
You can request a quote for Ethyl 2-butynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-butynoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-butynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.