![2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/3545/354541-27-8.webp)
2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 354541-27-8) is a chemical compound with molecular formula C20H12BrNO3 and molecular weight 393.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetylphenyl)-5-bromobenzo[de]isoquinoline-1,3-dione
Also Known As: 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-(4-acetylphenyl)-5-bromobenzo[de]isoquinoline-1,3-dione, 3-(4-acetylphenyl)-7-bromo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
| Molecular Formula | C20H12BrNO3 |
|---|---|
| Molecular Weight | 393.00 g/mol |
| LogP | 4.6055 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.00006 |
| Heavy Atoms | 25 |
| Complexity | 1070.2415 |
Chemical Identifiers
| CAS Number | 354541-27-8 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)Br |
Product Overview
2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 354541-27-8), with molecular formula C20H12BrNO3 and molecular weight 393.00 g/mol. IUPAC: 2-(4-acetylphenyl)-5-bromobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 4.6055 indicates that 2-(4-acetylphenyl)-5-bromo-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 54.45 Ų, 2-(4-acetylphenyl)-5-bromo-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-acetylphenyl)-5-bromo-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-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione is 354541-27-8.
What is the molecular formula of 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione is C20H12BrNO3.
What is the molecular weight of 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione is 393.00 g/mol.
Where can I buy 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(4-acetylphenyl)-5-bromo-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-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-acetylphenyl)-5-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.