Cyclohexanol, 1-ethynyl-, 1-propanoate
TL;DR: Cyclohexanol, 1-ethynyl-, 1-propanoate (CAS 5445-76-1) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethynylcyclohexyl) propanoate
Also Known As: 1-Ethynylcyclohexyl propionate, 1-Vinylcyclohexyl propionate, Cyclohexanol, propanoate, 1-Ethinylcyclohexylpropanoat, Cyclohexanol, 1-ethynyl-, propanoate
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 5445-76-1 |
|---|---|
| SMILES | CCC(=O)OC1(CCCCC1)C#C |
| InChIKey | TWHCDUFZKOKIMI-UHFFFAOYSA-N |
Product Overview
Cyclohexanol, 1-ethynyl-, 1-propanoate (CAS 5445-76-1), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: (1-ethynylcyclohexyl) propanoate.
Chemical Property Profile of Cyclohexanol, 1-ethynyl-, 1-propanoate
Property Insights of Cyclohexanol, 1-ethynyl-, 1-propanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanol, 1-ethynyl-, 1-propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexanol, 1-ethynyl-, 1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 1-ethynyl-, 1-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 Cyclohexanol, 1-ethynyl-, 1-propanoate?
The CAS number of Cyclohexanol, 1-ethynyl-, 1-propanoate is 5445-76-1.
What is the molecular formula of Cyclohexanol, 1-ethynyl-, 1-propanoate?
The molecular formula of Cyclohexanol, 1-ethynyl-, 1-propanoate is C11H16O2.
What is the molecular weight of Cyclohexanol, 1-ethynyl-, 1-propanoate?
The molecular weight of Cyclohexanol, 1-ethynyl-, 1-propanoate is 180.12 g/mol.
Where can I buy Cyclohexanol, 1-ethynyl-, 1-propanoate?
You can request a quote for Cyclohexanol, 1-ethynyl-, 1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanol, 1-ethynyl-, 1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanol, 1-ethynyl-, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.