Ethynylcyclohexane
TL;DR: Ethynylcyclohexane (CAS 931-48-6) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethynylcyclohexane
Also Known As: Ethynylcyclohexane, Cyclohexylacetylene, Cyclohexylethyne, Pirocrid, Cyclohexane, ethynyl-
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 931-48-6 |
|---|---|
| SMILES | C#CC1CCCCC1 |
| InChIKey | SSDZYLQUYMOSAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethynylcyclohexane (CAS 931-48-6), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: ethynylcyclohexane.
Chemical Property Profile of Ethynylcyclohexane
Property Insights of Ethynylcyclohexane
The XLogP value of 3.1 indicates that Ethynylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Ethynylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethynylcyclohexane has 0 hydrogen bond donor(s) and 0 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 Ethynylcyclohexane?
The CAS number of Ethynylcyclohexane is 931-48-6.
What is the molecular formula of Ethynylcyclohexane?
The molecular formula of Ethynylcyclohexane is C8H12.
What is the molecular weight of Ethynylcyclohexane?
The molecular weight of Ethynylcyclohexane is 108.09 g/mol.
Where can I buy Ethynylcyclohexane?
You can request a quote for Ethynylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethynylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for Ethynylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.