![3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide structure](/static/products/3129/312937-62-5.webp)
3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide
TL;DR: 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide (CAS 312937-62-5) is a chemical compound with molecular formula C22H12N4O5S and molecular weight 444.05 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)-N-(1,3-thiazol-2-yl)benzamide
Also Known As: BAS 01169732, 3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)benzamide, 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide, 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(1,3-thiazol-2-yl)benzamide, 3-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide
| Molecular Formula | C22H12N4O5S |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 4.2574 |
| Topological Polar Surface Area | 122.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.05283 |
| Heavy Atoms | 32 |
| Complexity | 1425.9957 |
Chemical Identifiers
| CAS Number | 312937-62-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C(=O)NC5=NC=CS5 |
Product Overview
3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide (CAS 312937-62-5), with molecular formula C22H12N4O5S and molecular weight 444.05 g/mol. IUPAC: 3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)benzamide.
Chemical Property Profile of 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide
Property Insights of 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide
The XLogP value of 4.2574 indicates that 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide. Following Lipinski's Rule of Five, 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide 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 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide?
The CAS number of 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide is 312937-62-5.
What is the molecular formula of 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide?
The molecular formula of 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide is C22H12N4O5S.
What is the molecular weight of 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide?
The molecular weight of 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide is 444.05 g/mol.
Where can I buy 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide?
You can request a quote for 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide 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,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-thiazol-2-yl-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.