![(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid structure](/static/products/5349/53497-33-9.webp)
(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
TL;DR: (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid (CAS 53497-33-9) is a chemical compound with molecular formula C14H8BrNO4 and molecular weight 332.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid
Also Known As: J1.797.727J, AE-848/07785049, 2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid, (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid, 1,3-Dioxo-6-bromo-2,3-dihydro-1H-benzo[de]isoquinoline-2-acetic acid
| Molecular Formula | C14H8BrNO4 |
|---|---|
| Molecular Weight | 332.96 g/mol |
| LogP | 2.2829 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.96368 |
| Heavy Atoms | 20 |
| Complexity | 761.8327 |
Chemical Identifiers
| CAS Number | 53497-33-9 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CC(=O)O)Br |
Product Overview
(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid (CAS 53497-33-9), with molecular formula C14H8BrNO4 and molecular weight 332.96 g/mol. IUPAC: 2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid.
Chemical Property Profile of (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
Property Insights of (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
The XLogP value of 2.2829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid. Following Lipinski's Rule of Five, (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid has 1 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 (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid?
The CAS number of (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid is 53497-33-9.
What is the molecular formula of (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid?
The molecular formula of (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid is C14H8BrNO4.
What is the molecular weight of (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid?
The molecular weight of (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid is 332.96 g/mol.
Where can I buy (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid?
You can request a quote for (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.