2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl- (CAS 108614-36-4) is a chemical compound with molecular formula C19H16O3 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethynylphenyl)-4-phenyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl-, 1-(4-Ethynylphenyl)-4-phenyl-2,6,7-trioxabicyclo(2.2.2)octane, 4-(4-ethynylphenyl)-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane, 1-(4-ETHYNYLPHENYL)-4-PHENYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE, RefChem:247930
| Molecular Formula | C19H16O3 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 2.7932 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.10995 |
| Heavy Atoms | 22 |
| Complexity | 688.0662 |
Chemical Identifiers
| CAS Number | 108614-36-4 |
|---|---|
| SMILES | C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4=CC=CC=C4 |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl- (CAS 108614-36-4), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: 1-(4-ethynylphenyl)-4-phenyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl-
The XLogP value of 2.7932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl-. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-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-ethynylphenyl)-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-ethynylphenyl)-4-phenyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl- is 108614-36-4.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl- is C19H16O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl- is 292.11 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-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-ethynylphenyl)-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.