alpha-Ethynylcyclohexanemethanol
TL;DR: alpha-Ethynylcyclohexanemethanol (CAS 4187-88-6) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexylprop-2-yn-1-ol
Also Known As: 1-cyclohexylprop-2-yn-1-ol, alpha-Ethynylcyclohexanemethanol, UPCMLD00WV-117, 2-Propyn-1-ol, 1-cyclohexyl-, A-Ethynylcyclohexanemethanol
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 4187-88-6 |
|---|---|
| SMILES | C#CC(C1CCCCC1)O |
| InChIKey | CMJHRFATHWISFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Ethynylcyclohexanemethanol (CAS 4187-88-6), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 1-cyclohexylprop-2-yn-1-ol.
Chemical Property Profile of alpha-Ethynylcyclohexanemethanol
Property Insights of alpha-Ethynylcyclohexanemethanol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Ethynylcyclohexanemethanol. With a topological polar surface area (TPSA) of 20.2 Ų, alpha-Ethynylcyclohexanemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Ethynylcyclohexanemethanol has 1 hydrogen bond donor(s) and 1 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 alpha-Ethynylcyclohexanemethanol?
The CAS number of alpha-Ethynylcyclohexanemethanol is 4187-88-6.
What is the molecular formula of alpha-Ethynylcyclohexanemethanol?
The molecular formula of alpha-Ethynylcyclohexanemethanol is C9H14O.
What is the molecular weight of alpha-Ethynylcyclohexanemethanol?
The molecular weight of alpha-Ethynylcyclohexanemethanol is 138.10 g/mol.
Where can I buy alpha-Ethynylcyclohexanemethanol?
You can request a quote for alpha-Ethynylcyclohexanemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Ethynylcyclohexanemethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Ethynylcyclohexanemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.