2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)- (CAS 130523-85-2) is a chemical compound with molecular formula C17H14FIO3 and molecular weight 412.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-fluorophenyl)-1-(4-iodophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)-, 1-(3-fluorophenyl)-4-(4-iodophenyl)-3,5,8-trioxabicyclo[2.2.2]octane, 4-(3-Fluorophenyl)-1-(4-iodophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C17H14FIO3 |
|---|---|
| Molecular Weight | 412.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.99716 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 130523-85-2 |
|---|---|
| SMILES | C1C2(COC(O1)(OC2)C3=CC=C(C=C3)I)C4=CC(=CC=C4)F |
| InChIKey | BAAUUFYQZTZDJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)- (CAS 130523-85-2), with molecular formula C17H14FIO3 and molecular weight 412.00 g/mol. IUPAC: 4-(3-fluorophenyl)-1-(4-iodophenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)-
The XLogP value of 3.4 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)- has 0 hydrogen bond donor(s) and 4 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 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)- is 130523-85-2.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)- is C17H14FIO3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)- is 412.00 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(3-fluorophenyl)-1-(4-iodophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.