Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate
TL;DR: Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate (CAS 72763-87-2) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
Also Known As: Ethyl 1-allyl-2-oxocyclohexanecarboxylate, 2-allyl-2-carbethoxycyclohexane-1-one, ethyl 2-oxo-1-prop-2-enylcyclohexane-1-carboxylate, ethyl 2-oxo-1-prop-2-enyl-cyclohexane-1-carboxylate, Ethyl 1-allyl-2-oxocyclohexane-1-carboxylate
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 72763-87-2 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1=O)CC=C |
| InChIKey | LVGFAEBVHISFKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate (CAS 72763-87-2), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: ethyl 2-oxo-1-prop-2-enylcyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate
Property Insights of Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate 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-(prop-2-en-1-yl)cyclohexane-1-carboxylate?
The CAS number of Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate is 72763-87-2.
What is the molecular formula of Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate?
The molecular formula of Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate is C12H18O3.
What is the molecular weight of Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate?
The molecular weight of Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate is 210.13 g/mol.
Where can I buy Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate?
You can request a quote for Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate 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-(prop-2-en-1-yl)cyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.