2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl- (CAS 134133-79-2) is a chemical compound with molecular formula C19H24O3 and molecular weight 300.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethynylphenyl)-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl-, 1-(4-Ethynylphenyl)-4-hexyl-2,6,7-trioxabicyclo(2.2.2)octane, 1-(4-Ethynylphenyl)-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane, 4-(4-ethynylphenyl)-1-hexyl-3,5,8-trioxabicyclo[2.2.2]octane, RefChem:247927
| Molecular Formula | C19H24O3 |
|---|---|
| Molecular Weight | 300.17 g/mol |
| LogP | 3.812 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.17255 |
| Heavy Atoms | 22 |
| Complexity | 516.2645 |
Chemical Identifiers
| CAS Number | 134133-79-2 |
|---|---|
| SMILES | CCCCCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl- (CAS 134133-79-2), with molecular formula C19H24O3 and molecular weight 300.17 g/mol. IUPAC: 1-(4-ethynylphenyl)-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl-
The XLogP value of 3.812 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl- 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-hexyl- 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-hexyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl- is 134133-79-2.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl- is C19H24O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl- is 300.17 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl- 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-hexyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-hexyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.