2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)- (CAS 108614-27-3) is a chemical compound with molecular formula C17H20O3 and molecular weight 272.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)-, 4-Butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane, 4-BUTYL-1-(4-ETHYNYLPHENYL)-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE, 1-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane, RefChem:247954
| Molecular Formula | C17H20O3 |
|---|---|
| Molecular Weight | 272.14 g/mol |
| LogP | 3.0318 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.14124 |
| Heavy Atoms | 20 |
| Complexity | 487.50247 |
Chemical Identifiers
| CAS Number | 108614-27-3 |
|---|---|
| SMILES | CCCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)- (CAS 108614-27-3), with molecular formula C17H20O3 and molecular weight 272.14 g/mol. IUPAC: 4-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)-
The XLogP value of 3.0318 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)- 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, 4-butyl-1-(4-ethynylphenyl)- 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-butyl-1-(4-ethynylphenyl)- 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, 4-butyl-1-(4-ethynylphenyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)- is 108614-27-3.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)- is C17H20O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)- is 272.14 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)- 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-butyl-1-(4-ethynylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-ethynylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.