2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- (CAS 130523-81-8) is a chemical compound with molecular formula C16H21IO3 and molecular weight 388.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-iodophenyl)-4-pentyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl-, 4-(4-iodophenyl)-1-pentyl-3,5,8-trioxabicyclo[2.2.2]octane, 1-(4-Iodophenyl)-4-pentyl-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C16H21IO3 |
|---|---|
| Molecular Weight | 388.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.05353 |
| Heavy Atoms | 20 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 130523-81-8 |
|---|---|
| SMILES | CCCCCC12COC(OC1)(OC2)C3=CC=C(C=C3)I |
| InChIKey | QTYWKIQCKQPHPY-UHFFFAOYSA-N |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- (CAS 130523-81-8), with molecular formula C16H21IO3 and molecular weight 388.05 g/mol. IUPAC: 1-(4-iodophenyl)-4-pentyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl-
The XLogP value of 4.2 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- 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, 1-(4-iodophenyl)-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- has 0 hydrogen bond donor(s) and 3 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, 1-(4-iodophenyl)-4-phenyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- is 130523-81-8.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- is C16H21IO3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- is 388.05 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- 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, 1-(4-iodophenyl)-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.