2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl- (CAS 108614-55-7) is a chemical compound with molecular formula C16H20Br2O3 and molecular weight 417.9779 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(1,2-dibromoethyl)phenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl-, 4-[4-(1,2-dibromoethyl)phenyl]-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane, 1-[4-(1,2-dibromoethyl)phenyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane, 4-n-propyl-1-(4-(1,2-dibromoethyl)phenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H20Br2O3 |
| Molecular Weight | 417.9779 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.9779 Da |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
| SMILES | CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C(CBr)Br |
| InChIKey | RYKXLWKFAUUPTF-UHFFFAOYSA-N |
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl-
The XLogP value of 3.8 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)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-(1,2-dibromoethyl)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
What is the CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl- is 108614-55-7.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl- is C16H20Br2O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl- is 417.9779 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl-?
Yes, CoreyChem provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(1,2-dibromoethyl)phenyl)-4-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.