1-Iodobicyclo(2.2.2)octane
TL;DR: 1-Iodobicyclo(2.2.2)octane (CAS 931-98-6) is a chemical compound with molecular formula C1CC2(CCC1CC2)I and molecular weight 236.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodobicyclo[2.2.2]octane
Also Known As: 1-Iodobicyclo[2.2.2]octane, Bicyclo[2.2.2]octane, 1-iodo-, Bicyclo(2.2.2)octane, 1-iodo-, 4-iodobicyclo[2.2.2]octane, 1-Iodobicyclo(2.2.2)octane
| Molecular Formula | C1CC2(CCC1CC2)I |
|---|---|
| Molecular Weight | 236.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.0062 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 931-98-6 |
|---|---|
| SMILES | C1CC2(CCC1CC2)I |
| InChIKey | SMDJHIPXLFNPTJ-UHFFFAOYSA-N |
Product Overview
1-Iodobicyclo(2.2.2)octane (CAS 931-98-6), with molecular formula C1CC2(CCC1CC2)I and molecular weight 236.01 g/mol. IUPAC: 1-iodobicyclo[2.2.2]octane.
Chemical Property Profile of 1-Iodobicyclo(2.2.2)octane
Property Insights of 1-Iodobicyclo(2.2.2)octane
The XLogP value of 4.1 indicates that 1-Iodobicyclo(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, 1-Iodobicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Iodobicyclo(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-Iodobicyclo(2.2.2)octane?
The CAS number of 1-Iodobicyclo(2.2.2)octane is 931-98-6.
What is the molecular formula of 1-Iodobicyclo(2.2.2)octane?
The molecular formula of 1-Iodobicyclo(2.2.2)octane is C1CC2(CCC1CC2)I.
What is the molecular weight of 1-Iodobicyclo(2.2.2)octane?
The molecular weight of 1-Iodobicyclo(2.2.2)octane is 236.01 g/mol.
Where can I buy 1-Iodobicyclo(2.2.2)octane?
You can request a quote for 1-Iodobicyclo(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-Iodobicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 1-Iodobicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.