Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate
TL;DR: Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate (CAS 61771-80-0) is a chemical compound with molecular formula C13H20O4 and molecular weight 240.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate
Also Known As: ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate, Ethyl 2-oxo-1-(3-oxobutyl)cyclohexanecarboxylate, Ethyl 2-oxo-1-(3-oxobutyl)cyclohexanecarboxylate #, 2-Oxo-1-(3-oxobutyl)cyclohexanecarboxylic acid ethyl ester, 1-(3-Oxobutyl)-2-oxocyclohexane-1-carboxylic acid ethyl ester
| Molecular Formula | C13H20O4 |
|---|---|
| Molecular Weight | 240.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.13615 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 61771-80-0 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1=O)CCC(=O)C |
| InChIKey | IXHVWONIZMJJHW-UHFFFAOYSA-N |
Product Overview
Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate (CAS 61771-80-0), with molecular formula C13H20O4 and molecular weight 240.14 g/mol. IUPAC: ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate
Property Insights of Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate 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 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate?
The CAS number of Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate is 61771-80-0.
What is the molecular formula of Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate?
The molecular formula of Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate is C13H20O4.
What is the molecular weight of Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate?
The molecular weight of Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate is 240.14 g/mol.
Where can I buy Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate?
You can request a quote for Ethyl 2-oxo-1-(3-oxobutyl)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-(3-oxobutyl)cyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.