![2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid structure](/static/products/867/86703-97-1.png)
2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid
TL;DR: 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid (CAS 86703-97-1) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-methylbutanoic acid
Also Known As: BAS 01259530, 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid, J2.028.982A, AB00074382-01, F0303-0094
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 2.545 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 758.66113 |
Chemical Identifiers
| CAS Number | 86703-97-1 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O |
Product Overview
2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid (CAS 86703-97-1), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-methylbutanoic acid.
Chemical Property Profile of 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid
Property Insights of 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid
The XLogP value of 2.545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic 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 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid?
The CAS number of 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid is 86703-97-1.
What is the molecular formula of 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid?
The molecular formula of 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid is C17H15NO4.
What is the molecular weight of 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid?
The molecular weight of 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid is 297.10 g/mol.
Where can I buy 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid?
You can request a quote for 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.