![4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid structure](/static/products/618/618408-31-4.png)
4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
TL;DR: 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid (CAS 618408-31-4) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
Also Known As: NCHN, 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid, J3.414.550D, 4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid, AB00685996-01
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.0062 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 789.2835 |
Chemical Identifiers
| CAS Number | 618408-31-4 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)O)O |
Product Overview
4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid (CAS 618408-31-4), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: 4-(6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid.
Chemical Property Profile of 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
Property Insights of 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
The XLogP value of 2.0062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid has 2 hydrogen bond donor(s) and 4 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 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid?
The CAS number of 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid is 618408-31-4.
What is the molecular formula of 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid?
The molecular formula of 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid is C16H13NO5.
What is the molecular weight of 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid?
The molecular weight of 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid is 299.08 g/mol.
Where can I buy 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid?
You can request a quote for 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-hydroxy-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.