Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester
TL;DR: Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester (CAS 67859-97-6) is a chemical compound with molecular formula C17H24O2 and molecular weight 260.17764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,3,5-trimethylcyclohexyl) 2-phenylacetate
Also Known As: 3,3,5-Trimethylcyclohexyl phenylacetate, Cyclandelate Impurity 2, Cyclandelate Impurity 3, 3,3,5-trimethylcyclohexylphenylacetate, (3,3,5-trimethylcyclohexyl) 2-phenylacetate
Technical Specifications
| Molecular Formula | C17H24O2 |
| Molecular Weight | 260.17764 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.17764 Da |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)CC2=CC=CC=C2 |
| InChIKey | JJRRLZZVCHJDHV-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester
Property Insights of Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester
The XLogP value of 4.8 indicates that Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 3,3,5-trimethylcyclohexyl 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 Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester?
The CAS number of Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester is 67859-97-6.
What is the molecular formula of Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester?
The molecular formula of Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester is C17H24O2.
What is the molecular weight of Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester?
The molecular weight of Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester is 260.17764 g/mol.
Where can I buy Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester?
You can request a quote for Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.