2-Chlorobicyclo(2.2.2)octane
TL;DR: 2-Chlorobicyclo(2.2.2)octane (CAS 33649-79-5) 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.
2-chlorobicyclo[2.2.2]octane
Also Known As: 2-Chlorobicyclo[2.2.2]octane, Bicyclo[2.2.2]octane, 2-chloro-, 3-chlorobicyclo[2.2.2]octane, 2-Chlorobicyclo(2.2.2)octane, Bicyclo(2.2.2)octane, 2-chloro-
| Molecular Formula | C8H13Cl |
|---|---|
| Molecular Weight | 144.07 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 | 144.07057 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 33649-79-5 |
|---|---|
| SMILES | C1CC2CCC1CC2Cl |
| InChIKey | PTVXDQZENDCNDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorobicyclo(2.2.2)octane (CAS 33649-79-5), with molecular formula C8H13Cl and molecular weight 144.07 g/mol. IUPAC: 2-chlorobicyclo[2.2.2]octane.
Chemical Property Profile of 2-Chlorobicyclo(2.2.2)octane
Property Insights of 2-Chlorobicyclo(2.2.2)octane
The XLogP value of 3.1 indicates that 2-Chlorobicyclo(2.2.2)octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chlorobicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Chlorobicyclo(2.2.2)octane?
The CAS number of 2-Chlorobicyclo(2.2.2)octane is 33649-79-5.
What is the molecular formula of 2-Chlorobicyclo(2.2.2)octane?
The molecular formula of 2-Chlorobicyclo(2.2.2)octane is C8H13Cl.
What is the molecular weight of 2-Chlorobicyclo(2.2.2)octane?
The molecular weight of 2-Chlorobicyclo(2.2.2)octane is 144.07 g/mol.
Where can I buy 2-Chlorobicyclo(2.2.2)octane?
You can request a quote for 2-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 2-Chlorobicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorobicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.