Ethyl pent-2-yn-1-oate
TL;DR: Ethyl pent-2-yn-1-oate (CAS 55314-57-3) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl pent-2-ynoate
Also Known As: ethyl pent-2-ynoate, Ethyl 2-pentynoate, 2-Pentynoic acid, ethyl ester, Ethyl-2-pentynoate, 2-Pentynoic acid ethyl ester
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 55314-57-3 |
|---|---|
| SMILES | CCC#CC(=O)OCC |
| InChIKey | XDPRPKSTFBPPHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl pent-2-yn-1-oate (CAS 55314-57-3), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: ethyl pent-2-ynoate.
Chemical Property Profile of Ethyl pent-2-yn-1-oate
Property Insights of Ethyl pent-2-yn-1-oate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl pent-2-yn-1-oate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl pent-2-yn-1-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl pent-2-yn-1-oate 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 pent-2-yn-1-oate?
The CAS number of Ethyl pent-2-yn-1-oate is 55314-57-3.
What is the molecular formula of Ethyl pent-2-yn-1-oate?
The molecular formula of Ethyl pent-2-yn-1-oate is C7H10O2.
What is the molecular weight of Ethyl pent-2-yn-1-oate?
The molecular weight of Ethyl pent-2-yn-1-oate is 126.07 g/mol.
Where can I buy Ethyl pent-2-yn-1-oate?
You can request a quote for Ethyl pent-2-yn-1-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl pent-2-yn-1-oate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl pent-2-yn-1-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.