1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)-
TL;DR: 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)- (CAS 130523-91-0) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-(4-prop-1-ynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)-, 1-tert-butyl-4-(4-prop-1-ynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane, 4-(4-prop-1-ynylphenyl)-1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octane, 4-TERT-BUTYL-1-[4-(PROP-1-YN-1-YL)PHENYL]-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 130523-91-0 |
|---|---|
| SMILES | CC#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C(C)(C)C |
| InChIKey | MWCSFKNMMDGFSQ-UHFFFAOYSA-N |
Product Overview
1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)- (CAS 130523-91-0), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: 4-tert-butyl-1-(4-prop-1-ynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)-
Property Insights of 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)-
The XLogP value of 3.5 indicates that 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)- 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 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)-?
The CAS number of 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)- is 130523-91-0.
What is the molecular formula of 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)-?
The molecular formula of 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)- is C18H22O3.
What is the molecular weight of 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)-?
The molecular weight of 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)- is 286.16 g/mol.
Where can I buy 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)-?
You can request a quote for 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-(1-propyn-1-yl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.