Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate
TL;DR: Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate (CAS 56576-36-4) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1-prop-2-ynylcyclohexane-1-carboxylate
Also Known As: Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate, J1.752.356B, ethyl 2-oxo-1-prop-2-ynylcyclohexane-1-carboxylate, 2-oxo-1-prop-2-ynyl-cyclohexanecarboxylic acid ethyl ester, Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate #
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 56576-36-4 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1=O)CC#C |
| InChIKey | PEEHWWRAOWSQNM-UHFFFAOYSA-N |
Product Overview
Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate (CAS 56576-36-4), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: ethyl 2-oxo-1-prop-2-ynylcyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate
Property Insights of Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate 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 2-oxo-1-(2-propynyl)cyclohexanecarboxylate?
The CAS number of Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate is 56576-36-4.
What is the molecular formula of Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate?
The molecular formula of Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate is C12H16O3.
What is the molecular weight of Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate?
The molecular weight of Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate is 208.11 g/mol.
Where can I buy Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate?
You can request a quote for Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxo-1-(2-propynyl)cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.