Isobutyl cyclohexylpropionate
TL;DR: Isobutyl cyclohexylpropionate (CAS 94021-84-8) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl 3-cyclohexylpropanoate
Also Known As: Isobutyl cyclohexylpropionate, isobutylcyclohexylpropionate, 2-methylpropyl 3-cyclohexylpropanoate, 2-METHYLPROPYL CYCLOHEXANEPROPANOATE, Cyclohexanepropionic acid 2-methylpropyl ester
Technical Specifications
| Molecular Formula | C13H24O2 |
| Molecular Weight | 212.17763 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.17763 Da |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
| SMILES | CC(C)COC(=O)CCC1CCCCC1 |
| InChIKey | JAFAFLLABLOGLS-UHFFFAOYSA-N |
Chemical Property Profile of Isobutyl cyclohexylpropionate
Property Insights of Isobutyl cyclohexylpropionate
The XLogP value of 4.5 indicates that Isobutyl cyclohexylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl cyclohexylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl cyclohexylpropionate 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 Isobutyl cyclohexylpropionate?
The CAS number of Isobutyl cyclohexylpropionate is 94021-84-8.
What is the molecular formula of Isobutyl cyclohexylpropionate?
The molecular formula of Isobutyl cyclohexylpropionate is C13H24O2.
What is the molecular weight of Isobutyl cyclohexylpropionate?
The molecular weight of Isobutyl cyclohexylpropionate is 212.17763 g/mol.
Where can I buy Isobutyl cyclohexylpropionate?
You can request a quote for Isobutyl cyclohexylpropionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl cyclohexylpropionate?
Yes, CoreyChem provides custom synthesis services for Isobutyl cyclohexylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.