1-Cyclohexylprop-2-yn-1-yl propanoate
TL;DR: 1-Cyclohexylprop-2-yn-1-yl propanoate (CAS 100520-44-3) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclohexylprop-2-ynyl propanoate
Also Known As: 1-cyclohexylprop-2-ynyl propanoate, Cyclohexanemethanol, alpha-ethynyl-, propionate, 1-CYCLOHEXYLPROP-2-YN-1-YL PROPANOATE, Propionic acid, 1-cyclohexyl-2-propyn-1-yl ester, Propionic acid 1-cyclohexyl-2-propyn-1-yl ester
Technical Specifications
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.13068 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.13068 Da |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
| SMILES | CCC(=O)OC(C#C)C1CCCCC1 |
| InChIKey | LZRFTQGSWSTXHR-UHFFFAOYSA-N |
Chemical Property Profile of 1-Cyclohexylprop-2-yn-1-yl propanoate
Property Insights of 1-Cyclohexylprop-2-yn-1-yl propanoate
The XLogP value of 3.1 indicates that 1-Cyclohexylprop-2-yn-1-yl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Cyclohexylprop-2-yn-1-yl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexylprop-2-yn-1-yl propanoate 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 1-Cyclohexylprop-2-yn-1-yl propanoate?
The CAS number of 1-Cyclohexylprop-2-yn-1-yl propanoate is 100520-44-3.
What is the molecular formula of 1-Cyclohexylprop-2-yn-1-yl propanoate?
The molecular formula of 1-Cyclohexylprop-2-yn-1-yl propanoate is C12H18O2.
What is the molecular weight of 1-Cyclohexylprop-2-yn-1-yl propanoate?
The molecular weight of 1-Cyclohexylprop-2-yn-1-yl propanoate is 194.13068 g/mol.
Where can I buy 1-Cyclohexylprop-2-yn-1-yl propanoate?
You can request a quote for 1-Cyclohexylprop-2-yn-1-yl propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Cyclohexylprop-2-yn-1-yl propanoate?
Yes, CoreyChem provides custom synthesis services for 1-Cyclohexylprop-2-yn-1-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.