![(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid structure](/static/products/834/83427-84-3.png)
(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
TL;DR: (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid (CAS 83427-84-3) is a chemical compound with molecular formula C14H7N3O8 and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid
Also Known As: A0513/0023748, (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid, 2-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid, 5,8-Dinitro-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetic acid
| Molecular Formula | C14H7N3O8 |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 1.3368 |
| Topological Polar Surface Area | 160.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.02332 |
| Heavy Atoms | 25 |
| Complexity | 944.0442 |
Chemical Identifiers
| CAS Number | 83427-84-3 |
|---|---|
| SMILES | C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CC(=O)O)[N+](=O)[O-] |
Product Overview
(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid (CAS 83427-84-3), with molecular formula C14H7N3O8 and molecular weight 345.02 g/mol. IUPAC: 2-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid.
Chemical Property Profile of (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
Property Insights of (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
The XLogP value of 1.3368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid. The TPSA of 160.96 Ų indicates high polarity, suggesting (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid has 1 hydrogen bond donor(s) and 7 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 (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid?
The CAS number of (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid is 83427-84-3.
What is the molecular formula of (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid?
The molecular formula of (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid is C14H7N3O8.
What is the molecular weight of (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid?
The molecular weight of (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid is 345.02 g/mol.
Where can I buy (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid?
You can request a quote for (5,8-dinitro-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 (5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5,8-dinitro-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.