2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)- (CAS 131505-57-2) is a chemical compound with molecular formula C17H18O3 and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-, 1-(4-Ethynylphenyl)-4-(1-methylcyclopropyl)-2,6,7-trioxabicyclo(2.2.2)octane, 1-(4-Ethynylphenyl)-4-(1-methylcyclopropyl)-2,6,7-trioxabicyclo[2.2.2]octane, 4-(4-ethynylphenyl)-1-(1-methylcyclopropyl)-3,5,8-trioxabicyclo[2.2.2]octane, RefChem:247913
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 2.6417 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 552.7185 |
Chemical Identifiers
| CAS Number | 131505-57-2 |
|---|---|
| SMILES | CC1(CC1)C23COC(OC2)(OC3)C4=CC=C(C=C4)C#C |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)- (CAS 131505-57-2), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-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-methylcyclopropyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-
The XLogP value of 2.6417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)- 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-methylcyclopropyl)- 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-methylcyclopropyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)- is 131505-57-2.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)- is C17H18O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)- is 270.13 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)- 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-methylcyclopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(1-methylcyclopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.