1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane
TL;DR: 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane (CAS 5344-51-4) is a chemical compound with molecular formula C6H12S2+2 and molecular weight 148.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dithioniabicyclo[2.2.2]octane
Also Known As: S12CCS(CC1)CC2, 1,4-dithioniabicyclo[2.2.2]octane, 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane, 1,4-Dithiabicyclo[2.2.2]octane-1,4-diium, 1.Lambda.~4~,4.lambda.~4~-Dithiabicyclo[2.2.2]octane
| Molecular Formula | C6H12S2+2 |
|---|---|
| Molecular Weight | 148.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.03804 |
| Heavy Atoms | 8 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 5344-51-4 |
|---|---|
| SMILES | C1C[S+]2CC[S+]1CC2 |
| InChIKey | PGGPTOJSPHDALQ-UHFFFAOYSA-N |
Product Overview
1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane (CAS 5344-51-4), with molecular formula C6H12S2+2 and molecular weight 148.04 g/mol. IUPAC: 1,4-dithioniabicyclo[2.2.2]octane.
Chemical Property Profile of 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane
Property Insights of 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane. With a topological polar surface area (TPSA) of 2.0 Ų, 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1lambda(4),4lambda(4)-Dithiabicyclo(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 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane?
The CAS number of 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane is 5344-51-4.
What is the molecular formula of 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane?
The molecular formula of 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane is C6H12S2+2.
What is the molecular weight of 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane?
The molecular weight of 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane is 148.04 g/mol.
Where can I buy 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane?
You can request a quote for 1lambda(4),4lambda(4)-Dithiabicyclo(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 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 1lambda(4),4lambda(4)-Dithiabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.