Diethyl 2-oxocyclohexane-1,1-dicarboxylate
TL;DR: Diethyl 2-oxocyclohexane-1,1-dicarboxylate (CAS 35005-25-5) is a chemical compound with molecular formula C12H18O5 and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-oxocyclohexane-1,1-dicarboxylate
Also Known As: 2,2-dicarbethoxycyclohexanone, diethyl 2-oxocyclohexane-1,1-dicarboxylate, 2,2-dicarboethoxycyclohexanone, 2,2-dicarbethoxy-cyclohexanone, 1,1-Bis-aethoxycarbonyl-cyclohexanon-(2)
| Molecular Formula | C12H18O5 |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.11542 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 35005-25-5 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1=O)C(=O)OCC |
| InChIKey | WFFNBDLXWJGXCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-oxocyclohexane-1,1-dicarboxylate (CAS 35005-25-5), with molecular formula C12H18O5 and molecular weight 242.12 g/mol. IUPAC: diethyl 2-oxocyclohexane-1,1-dicarboxylate.
Chemical Property Profile of Diethyl 2-oxocyclohexane-1,1-dicarboxylate
Property Insights of Diethyl 2-oxocyclohexane-1,1-dicarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-oxocyclohexane-1,1-dicarboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-oxocyclohexane-1,1-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 2-oxocyclohexane-1,1-dicarboxylate has 0 hydrogen bond donor(s) and 5 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 Diethyl 2-oxocyclohexane-1,1-dicarboxylate?
The CAS number of Diethyl 2-oxocyclohexane-1,1-dicarboxylate is 35005-25-5.
What is the molecular formula of Diethyl 2-oxocyclohexane-1,1-dicarboxylate?
The molecular formula of Diethyl 2-oxocyclohexane-1,1-dicarboxylate is C12H18O5.
What is the molecular weight of Diethyl 2-oxocyclohexane-1,1-dicarboxylate?
The molecular weight of Diethyl 2-oxocyclohexane-1,1-dicarboxylate is 242.12 g/mol.
Where can I buy Diethyl 2-oxocyclohexane-1,1-dicarboxylate?
You can request a quote for Diethyl 2-oxocyclohexane-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-oxocyclohexane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-oxocyclohexane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.