Cyclohexaneacetic acid, methyl ester
TL;DR: Cyclohexaneacetic acid, methyl ester (CAS 14354-59-7) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-cyclohexylacetate
Also Known As: methyl 2-cyclohexylacetate, Methyl cyclohexylacetate, Methylcyclohexylacetate, Methyl cyclohexaneacetate, Glycyl-L-phenylalanine
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.11504 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.11504 Da |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
| SMILES | COC(=O)CC1CCCCC1 |
| InChIKey | IMXBRVLCKXGWSS-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexaneacetic acid, methyl ester
Property Insights of Cyclohexaneacetic acid, methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexaneacetic acid, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexaneacetic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacetic acid, methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyclohexaneacetic acid, methyl ester?
The CAS number of Cyclohexaneacetic acid, methyl ester is 14354-59-7.
What is the molecular formula of Cyclohexaneacetic acid, methyl ester?
The molecular formula of Cyclohexaneacetic acid, methyl ester is C9H16O2.
What is the molecular weight of Cyclohexaneacetic acid, methyl ester?
The molecular weight of Cyclohexaneacetic acid, methyl ester is 156.11504 g/mol.
Where can I buy Cyclohexaneacetic acid, methyl ester?
You can request a quote for Cyclohexaneacetic acid, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexaneacetic acid, methyl ester?
Yes, CoreyChem provides custom synthesis services for Cyclohexaneacetic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.