![2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/374/374084-22-7.png)
2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 374084-22-7) is a chemical compound with molecular formula C25H28N2O3 and molecular weight 404.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]hept-2-yl)butyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C25H28N2O3 |
|---|---|
| Molecular Weight | 404.21 g/mol |
| LogP | 4.2531 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.21 |
| Heavy Atoms | 30 |
| Complexity | 1035.4855 |
Chemical Identifiers
| CAS Number | 374084-22-7 |
|---|---|
| SMILES | CC1(CC2(CC1N(C2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C)C |
Product Overview
2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 374084-22-7), with molecular formula C25H28N2O3 and molecular weight 404.21 g/mol. IUPAC: 2-[4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 4.2531 indicates that 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione 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-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 374084-22-7.
What is the molecular formula of 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is C25H28N2O3.
What is the molecular weight of 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 404.21 g/mol.
Where can I buy 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-oxo-4-(4,6,6-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.