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Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate
TL;DR: Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate (CAS 106864-99-7) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate
Also Known As: ethyl 1-(2-cyanobenzyl)-2-oxocyclohexanecarboxylate, ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate, Cyclohexanecarboxylicacid, 1-[(2-cyanophenyl)methyl]-2-oxo-, ethyl ester
Technical Specifications
| Molecular Formula | C17H19NO3 |
| Molecular Weight | 285.1365 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.1365 Da |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
| SMILES | CCOC(=O)C1(CCCCC1=O)CC2=CC=CC=C2C#N |
| InChIKey | ZGWOTCZGVPAFCC-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate
Property Insights of Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-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
What is the CAS number of Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate?
The CAS number of Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate is 106864-99-7.
What is the molecular formula of Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate?
The molecular formula of Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate is C17H19NO3.
What is the molecular weight of Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate?
The molecular weight of Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate is 285.1365 g/mol.
Where can I buy Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate?
You can request a quote for Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-[(2-cyanophenyl)methyl]-2-oxocyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.