![1-Chlorobicyclo[2.2.2]octane structure](/static/products/2064/2064-03-1.webp)
1-Chlorobicyclo[2.2.2]octane
TL;DR: 1-Chlorobicyclo[2.2.2]octane (CAS 2064-03-1) is a chemical compound with molecular formula C8H13Cl and molecular weight 144.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chlorobicyclo[2.2.2]octane
Also Known As: 1-Chlorobicyclo[2.2.2]octane, Bicyclo[2.2.2]octane, 1-chloro-, 4-chlorobicyclo[2.2.2]octane, 1-Chlorobicyclo(2.2.2)octane, 1-chloro-bicyclo[2.2.2]octane
| Molecular Formula | C8H13Cl |
|---|---|
| Molecular Weight | 144.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.07057 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 2064-03-1 |
|---|---|
| SMILES | C1CC2(CCC1CC2)Cl |
| InChIKey | GNYICKIOLRWLAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chlorobicyclo[2.2.2]octane (CAS 2064-03-1), with molecular formula C8H13Cl and molecular weight 144.07 g/mol. IUPAC: 1-chlorobicyclo[2.2.2]octane.
Chemical Property Profile of 1-Chlorobicyclo[2.2.2]octane
Property Insights of 1-Chlorobicyclo[2.2.2]octane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chlorobicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chlorobicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chlorobicyclo[2.2.2]octane 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 1-Chlorobicyclo[2.2.2]octane?
The CAS number of 1-Chlorobicyclo[2.2.2]octane is 2064-03-1.
What is the molecular formula of 1-Chlorobicyclo[2.2.2]octane?
The molecular formula of 1-Chlorobicyclo[2.2.2]octane is C8H13Cl.
What is the molecular weight of 1-Chlorobicyclo[2.2.2]octane?
The molecular weight of 1-Chlorobicyclo[2.2.2]octane is 144.07 g/mol.
Where can I buy 1-Chlorobicyclo[2.2.2]octane?
You can request a quote for 1-Chlorobicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chlorobicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chlorobicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.