Cyclohexane, 1-chloro-1-ethynyl-
TL;DR: Cyclohexane, 1-chloro-1-ethynyl- (CAS 6209-75-2) is a chemical compound with molecular formula C8H11Cl and molecular weight 142.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1-ethynylcyclohexane
Also Known As: 1-Chloro-1-ethynylcyclohexane, 1-Ethynylcyclohexyl chloride, Cyclohexane, 1-chloro-1-ethynyl-, 1-(chlorocyclohexyl)ethyne, 1-ethynyl-1-chlorocyclohexane
| Molecular Formula | C8H11Cl |
|---|---|
| Molecular Weight | 142.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.05493 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 6209-75-2 |
|---|---|
| SMILES | C#CC1(CCCCC1)Cl |
| InChIKey | GBHYSRYVIVDDHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexane, 1-chloro-1-ethynyl- (CAS 6209-75-2), with molecular formula C8H11Cl and molecular weight 142.05 g/mol. IUPAC: 1-chloro-1-ethynylcyclohexane.
Chemical Property Profile of Cyclohexane, 1-chloro-1-ethynyl-
Property Insights of Cyclohexane, 1-chloro-1-ethynyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexane, 1-chloro-1-ethynyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Cyclohexane, 1-chloro-1-ethynyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexane, 1-chloro-1-ethynyl- 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 Cyclohexane, 1-chloro-1-ethynyl-?
The CAS number of Cyclohexane, 1-chloro-1-ethynyl- is 6209-75-2.
What is the molecular formula of Cyclohexane, 1-chloro-1-ethynyl-?
The molecular formula of Cyclohexane, 1-chloro-1-ethynyl- is C8H11Cl.
What is the molecular weight of Cyclohexane, 1-chloro-1-ethynyl-?
The molecular weight of Cyclohexane, 1-chloro-1-ethynyl- is 142.05 g/mol.
Where can I buy Cyclohexane, 1-chloro-1-ethynyl-?
You can request a quote for Cyclohexane, 1-chloro-1-ethynyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane, 1-chloro-1-ethynyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane, 1-chloro-1-ethynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.