Methyl 4-(3-oxocyclohexyl)butanoate
TL;DR: Methyl 4-(3-oxocyclohexyl)butanoate (CAS 147895-12-3) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(3-oxocyclohexyl)butanoate
Also Known As: Methyl 4-(3-oxocyclohexyl)butanoate, Methyl4-(3-oxocyclohexyl)butanoate, Methyl 4-(3-oxocyclohexyl)butanoate #, 4-(3-Oxocyclohexyl)butyric acid, methyl ester
Technical Specifications
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.1256 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.1256 Da |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
| SMILES | COC(=O)CCCC1CCCC(=O)C1 |
| InChIKey | DFDHVTJVRXUPRT-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(3-oxocyclohexyl)butanoate
Property Insights of Methyl 4-(3-oxocyclohexyl)butanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-oxocyclohexyl)butanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-(3-oxocyclohexyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(3-oxocyclohexyl)butanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-(3-oxocyclohexyl)butanoate?
The CAS number of Methyl 4-(3-oxocyclohexyl)butanoate is 147895-12-3.
What is the molecular formula of Methyl 4-(3-oxocyclohexyl)butanoate?
The molecular formula of Methyl 4-(3-oxocyclohexyl)butanoate is C11H18O3.
What is the molecular weight of Methyl 4-(3-oxocyclohexyl)butanoate?
The molecular weight of Methyl 4-(3-oxocyclohexyl)butanoate is 198.1256 g/mol.
Where can I buy Methyl 4-(3-oxocyclohexyl)butanoate?
You can request a quote for Methyl 4-(3-oxocyclohexyl)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(3-oxocyclohexyl)butanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(3-oxocyclohexyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.