![1,4-Dichlorobicyclo[2.2.2]octane structure](/static/products/1125/1125-40-2.webp)
1,4-Dichlorobicyclo[2.2.2]octane
TL;DR: 1,4-Dichlorobicyclo[2.2.2]octane (CAS 1125-40-2) is a chemical compound with molecular formula C8H12Cl2 and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichlorobicyclo[2.2.2]octane
Also Known As: 1,4-Dichlorobicyclo[2.2.2]octane, ClC12CCC(Cl)(CC1)CC2, Bicyclo[2.2.2]octane, 1,4-dichloro-, 1,4-Dichlor-bicyclo<2.2.2>octan, 1,4-Dichlorobicyclo(2.2.2)octane
| Molecular Formula | C8H12Cl2 |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.0316 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 1125-40-2 |
|---|---|
| SMILES | C1CC2(CCC1(CC2)Cl)Cl |
| InChIKey | OAGIKCZVYNHNCJ-UHFFFAOYSA-N |
Product Overview
1,4-Dichlorobicyclo[2.2.2]octane (CAS 1125-40-2), with molecular formula C8H12Cl2 and molecular weight 178.03 g/mol. IUPAC: 1,4-dichlorobicyclo[2.2.2]octane.
Chemical Property Profile of 1,4-Dichlorobicyclo[2.2.2]octane
Property Insights of 1,4-Dichlorobicyclo[2.2.2]octane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dichlorobicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dichlorobicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichlorobicyclo[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 1,4-Dichlorobicyclo[2.2.2]octane?
The CAS number of 1,4-Dichlorobicyclo[2.2.2]octane is 1125-40-2.
What is the molecular formula of 1,4-Dichlorobicyclo[2.2.2]octane?
The molecular formula of 1,4-Dichlorobicyclo[2.2.2]octane is C8H12Cl2.
What is the molecular weight of 1,4-Dichlorobicyclo[2.2.2]octane?
The molecular weight of 1,4-Dichlorobicyclo[2.2.2]octane is 178.03 g/mol.
Where can I buy 1,4-Dichlorobicyclo[2.2.2]octane?
You can request a quote for 1,4-Dichlorobicyclo[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 1,4-Dichlorobicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dichlorobicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.