丙炔酸乙酯
TL;DR: 丙炔酸乙酯 (CAS 623-47-2) 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.
丙炔酸乙酯
ethyl prop-2-ynoate
Also Known As: Ethyl propiolate, ethyl prop-2-ynoate, Ethyl acetylenecarboxylate, ETHYL PROPYNOATE, ethyl propargylate
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 g/mol |
| LogP | 1.0 |
| 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 | 623-47-2 |
|---|---|
| SMILES | CCOC(=O)C#C |
| InChIKey | FMVJYQGSRWVMQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙炔酸乙酯 (CAS 623-47-2), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: ethyl prop-2-ynoate.
Chemical Property Profile of 丙炔酸乙酯
Property Insights of 丙炔酸乙酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙炔酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丙炔酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙炔酸乙酯 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 丙炔酸乙酯?
The CAS number of 丙炔酸乙酯 is 623-47-2.
What is the molecular formula of 丙炔酸乙酯?
The molecular formula of 丙炔酸乙酯 is C5H6O2.
What is the molecular weight of 丙炔酸乙酯?
The molecular weight of 丙炔酸乙酯 is 98.04 g/mol.
Where can I buy 丙炔酸乙酯?
You can request a quote for 丙炔酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙炔酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 丙炔酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.