2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl- (CAS 108613-94-1) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3,3-dimethylbut-1-ynyl)phenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl-, 1-(4-(3,3-Dimethyl-1-butynyl)phenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane, 1-[4-(3,3-dimethylbut-1-ynyl)phenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl) -4-propyl-, 4-[4-(3,3-dimethylbut-1-ynyl)phenyl]-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 4.058 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 588.48804 |
Chemical Identifiers
| CAS Number | 108613-94-1 |
|---|---|
| SMILES | CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#CC(C)(C)C |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl- (CAS 108613-94-1), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: 1-[4-(3,3-dimethylbut-1-ynyl)phenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl-
The XLogP value of 4.058 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl- 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-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl- 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-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl- 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-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl- is 108613-94-1.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl- is C20H26O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl- is 314.19 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl- 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-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(3,3-dimethyl-1-butynyl)phenyl)-4-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.