2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)- (CAS 134133-84-9) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethynylphenyl)-4-prop-1-en-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)-, 1-(4-Ethynylphenyl)-4-(1-methylethenyl)-2,6,7-trioxabicyclo(2.2.2)octane, 4-(4-ethynylphenyl)-1-prop-1-en-2-yl-3,5,8-trioxabicyclo[2.2.2]octane, 1-(4-Ethynylphenyl)-4-(prop-1-en-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane, RefChem:247914
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 2.4177 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 525.82263 |
Chemical Identifiers
| CAS Number | 134133-84-9 |
|---|---|
| SMILES | CC(=C)C12COC(OC1)(OC2)C3=CC=C(C=C3)C#C |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)- (CAS 134133-84-9), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 1-(4-ethynylphenyl)-4-prop-1-en-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)-
The XLogP value of 2.4177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)-. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)- 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-(1-methylethenyl)- 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-(1-methylethenyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)- is 134133-84-9.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)- is C16H16O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)- is 256.11 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)- 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-(1-methylethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.