1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane
TL;DR: 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane (CAS 5429-04-9) is a chemical compound with molecular formula C15H19N3O3 and molecular weight 289.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-azidophenyl)-4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: Sid 701325, 1-(4-azidophenyl)-4-t-butyl-TBO, 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane, 1-(4-Azidophenyl)-4-tert-butylbicycloorthocarboxylate, 1-(4-azidophenyl)-4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C15H19N3O3 |
|---|---|
| Molecular Weight | 289.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.14264 |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 5429-04-9 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)N=[N+]=[N-] |
| InChIKey | WWTAEIBBMIEIJI-UHFFFAOYSA-N |
Product Overview
1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane (CAS 5429-04-9), with molecular formula C15H19N3O3 and molecular weight 289.14 g/mol. IUPAC: 1-(4-azidophenyl)-4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane
Property Insights of 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane
The XLogP value of 3.7 indicates that 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane has 0 hydrogen bond donor(s) and 5 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-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane?
The CAS number of 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane is 5429-04-9.
What is the molecular formula of 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane?
The molecular formula of 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane is C15H19N3O3.
What is the molecular weight of 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane?
The molecular weight of 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane is 289.14 g/mol.
Where can I buy 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane?
You can request a quote for 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Azidophenyl)-4-t-butyl-2,6,7-trioxabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.