![2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/959/95966-33-9.png)
2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 95966-33-9) is a chemical compound with molecular formula C19H12BrNO2 and molecular weight 365.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-6-bromobenzo[de]isoquinoline-1,3-dione
Also Known As: 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-benzyl-6-bromobenzo[de]isoquinoline-1,3-dione, N-Benzyl-4-bromo-1,8-naphthalenedicarbimide, J3.099.805G, 3-benzyl-10-bromo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
| Molecular Formula | C19H12BrNO2 |
|---|---|
| Molecular Weight | 365.01 g/mol |
| LogP | 4.3985 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.00513 |
| Heavy Atoms | 23 |
| Complexity | 927.9958 |
Chemical Identifiers
| CAS Number | 95966-33-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O |
Product Overview
2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 95966-33-9), with molecular formula C19H12BrNO2 and molecular weight 365.01 g/mol. IUPAC: 2-benzyl-6-bromobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 4.3985 indicates that 2-benzyl-6-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 37.38 Ų, 2-benzyl-6-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-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione has 0 hydrogen bond donor(s) and 2 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-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione is 95966-33-9.
What is the molecular formula of 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione is C19H12BrNO2.
What is the molecular weight of 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione is 365.01 g/mol.
Where can I buy 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-benzyl-6-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-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-benzyl-6-bromo-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.