2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)- (CAS 131505-63-0) is a chemical compound with molecular formula C19H15FO3 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethynylphenyl)-4-(3-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: HHNP, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)-, 1-(4-Ethynylphenyl)-4-(3-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)octane, 1-(4-ETHYNYLPHENYL)-4-(3-FLUOROPHENYL)-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE, 4-(4-ethynylphenyl)-1-(3-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C19H15FO3 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 2.9323 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.10052 |
| Heavy Atoms | 23 |
| Complexity | 751.41754 |
Chemical Identifiers
| CAS Number | 131505-63-0 |
|---|---|
| SMILES | C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4=CC(=CC=C4)F |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)- (CAS 131505-63-0), with molecular formula C19H15FO3 and molecular weight 310.10 g/mol. IUPAC: 1-(4-ethynylphenyl)-4-(3-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)-
The XLogP value of 2.9323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)-. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)- 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-(3-fluorophenyl)- 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-(3-fluorophenyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)- is 131505-63-0.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)- is C19H15FO3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)- is 310.10 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)- 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-(3-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(3-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.