Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate
TL;DR: Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate (CAS 617-67-4) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-2-oxocyclohexyl)-2-oxoacetate
Also Known As: ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate, 1.1.1.2.3.3-Hexachlor-propan, ethyl 2-(3-methyl-2-oxocyclohexyl)-2-oxoacetate, Ethyl (3-methyl-2-oxocyclohexyl)(oxo)acetate
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 617-67-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1CCCC(C1=O)C |
| InChIKey | GNGXPOLCIGNAFB-UHFFFAOYSA-N |
Product Overview
Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate (CAS 617-67-4), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: ethyl 2-(3-methyl-2-oxocyclohexyl)-2-oxoacetate.
Chemical Property Profile of Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate
Property Insights of Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate. Following Lipinski's Rule of Five, Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate has 0 hydrogen bond donor(s) and 4 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(3-methyl-2-oxocyclohexyl)(oxo)acetate?
The CAS number of Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate is 617-67-4.
What is the molecular formula of Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate?
The molecular formula of Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate is C11H16O4.
What is the molecular weight of Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate?
The molecular weight of Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate is 212.10 g/mol.
Where can I buy Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate?
You can request a quote for Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl(3-methyl-2-oxocyclohexyl)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.