![1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo- structure](/static/products/6922/692282-44-3.webp)
1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo-
TL;DR: 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo- (CAS 692282-44-3) is a chemical compound with molecular formula C16H12BrNO4 and molecular weight 360.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
Also Known As: 4-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid, 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo-, 4-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
| Molecular Formula | C16H12BrNO4 |
|---|---|
| Molecular Weight | 360.99 g/mol |
| LogP | 3.0631 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.99496 |
| Heavy Atoms | 22 |
| Complexity | 792.8931 |
Chemical Identifiers
| CAS Number | 692282-44-3 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)O)Br |
Product Overview
1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo- (CAS 692282-44-3), with molecular formula C16H12BrNO4 and molecular weight 360.99 g/mol. IUPAC: 4-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid.
Chemical Property Profile of 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo-
Property Insights of 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo-
The XLogP value of 3.0631 indicates that 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo-. Following Lipinski's Rule of Five, 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo- 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 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo-?
The CAS number of 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo- is 692282-44-3.
What is the molecular formula of 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo-?
The molecular formula of 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo- is C16H12BrNO4.
What is the molecular weight of 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo-?
The molecular weight of 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo- is 360.99 g/mol.
Where can I buy 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo-?
You can request a quote for 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 6-bromo-1,3-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.