Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate
TL;DR: Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate (CAS 77320-46-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1-prop-2-ynylcyclopentane-1-carboxylate
Also Known As: Ethyl 2-oxo-1-(2-propynyl)cyclopentanecarboxylate, Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate, 2-oxo-1-prop-2-ynylcyclopentanecarboxylic acid ethyl ester, Ethyl 2-oxo-1-(prop-2-yn-1-yl)cyclopentane-1-carboxylate, Ethyl 2-oxo-1-(2-propynyl)cyclopentanecarboxylate #
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 77320-46-8 |
|---|---|
| SMILES | CCOC(=O)C1(CCCC1=O)CC#C |
| InChIKey | SGKFFLPUDHYUQQ-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate (CAS 77320-46-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: ethyl 2-oxo-1-prop-2-ynylcyclopentane-1-carboxylate.
Chemical Property Profile of Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate
Property Insights of Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate has 0 hydrogen bond donor(s) and 3 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 1-(2-propynyl)-2-oxocyclopentanecarboxylate?
The CAS number of Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate is 77320-46-8.
What is the molecular formula of Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate?
The molecular formula of Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate is C11H14O3.
What is the molecular weight of Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate?
The molecular weight of Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate is 194.09 g/mol.
Where can I buy Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate?
You can request a quote for Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-propynyl)-2-oxocyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.