1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate
TL;DR: 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate (CAS 151600-50-9) is a chemical compound with molecular formula C13H20O5 and molecular weight 256.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-(3-oxocyclohexyl)propanedioate
Also Known As: 1,3-diethyl 2-(3-oxocyclohexyl)propanedioate, diethyl 3-oxocyclohexylmalonate, Diethyl (3-oxocyclohexyl)malonate, diethyl 2-(3-oxocyclohexyl)propanedioate, diethyl 2-(3-oxocyclohexyl)malonate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H20O5 |
| Molecular Weight | 256.13107 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.13107 Da |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
| SMILES | CCOC(=O)C(C1CCCC(=O)C1)C(=O)OCC |
| InChIKey | IKOAYBMYVQZXPV-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate
Property Insights of 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate 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
What is the CAS number of 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate?
The CAS number of 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate is 151600-50-9.
What is the molecular formula of 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate?
The molecular formula of 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate is C13H20O5.
What is the molecular weight of 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate?
The molecular weight of 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate is 256.13107 g/mol.
Where can I buy 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate?
You can request a quote for 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate?
Yes, CoreyChem provides custom synthesis services for 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.