![3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid structure](/static/products/3072/307299-14-5.webp)
3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid
TL;DR: 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid (CAS 307299-14-5) is a chemical compound with molecular formula C15H10N2O6 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid
Also Known As: CBKinase1_000695, CBKinase1_013095, 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid, BAS 04380272, 3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid
| Molecular Formula | C15H10N2O6 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 1.8187 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0539 |
| Heavy Atoms | 23 |
| Complexity | 866.66125 |
Chemical Identifiers
| CAS Number | 307299-14-5 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCC(=O)O)[N+](=O)[O-] |
Product Overview
3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid (CAS 307299-14-5), with molecular formula C15H10N2O6 and molecular weight 314.05 g/mol. IUPAC: 3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid.
Chemical Property Profile of 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid
Property Insights of 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid
The XLogP value of 1.8187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid has 1 hydrogen bond donor(s) and 5 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 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid?
The CAS number of 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid is 307299-14-5.
What is the molecular formula of 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid?
The molecular formula of 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid is C15H10N2O6.
What is the molecular weight of 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid?
The molecular weight of 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid is 314.05 g/mol.
Where can I buy 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid?
You can request a quote for 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.