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 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.5217 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 220.96645 |
Chemical Identifiers
| CAS Number | 100520-44-3 |
|---|---|
| SMILES | CCC(=O)OC(C#C)C1CCCCC1 |
Product Overview
1-Cyclohexylprop-2-yn-1-yl propanoate (CAS 100520-44-3), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 1-cyclohexylprop-2-ynyl propanoate.
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 2.5217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexylprop-2-yn-1-yl propanoate. 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
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 194.13 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexylprop-2-yn-1-yl propanoate?
Yes, KEHONG BIO 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.