Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester
TL;DR: Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester (CAS 100532-46-5) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclohexylprop-2-ynyl butanoate
Also Known As: 1-cyclohexylprop-2-ynyl butanoate, Cyclohexanemethanol, alpha-ethynyl-, butyrate, 1-cyclohexylprop-2-yn-1-yl butanoate, BUTYRIC ACID, 1-CYCLOHEXYL-2-PROPYN-1-YL ESTER, Butyric acid 1-cyclohexyl-2-propynyl ester
Technical Specifications
| Molecular Formula | C13H20O2 |
| Molecular Weight | 208.14633 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.14633 Da |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
| SMILES | CCCC(=O)OC(C#C)C1CCCCC1 |
| InChIKey | GOBXATJYRZJYRP-UHFFFAOYSA-N |
Chemical Property Profile of Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester
Property Insights of Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester
The XLogP value of 3.5 indicates that Butyric acid, 1-cyclohexyl-2-propyn-1-yl 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, Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 1-cyclohexyl-2-propyn-1-yl 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 Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester?
The CAS number of Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester is 100532-46-5.
What is the molecular formula of Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester?
The molecular formula of Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester is C13H20O2.
What is the molecular weight of Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester?
The molecular weight of Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester is 208.14633 g/mol.
Where can I buy Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester?
You can request a quote for Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester?
Yes, CoreyChem provides custom synthesis services for Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.