![2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/3576/357613-34-4.webp)
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 357613-34-4) is a chemical compound with molecular formula C17H12N4O4 and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione
Also Known As: BAS 00850528, 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione, 2-(3,5-Dimethyl-1H-pyrazol-4-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C17H12N4O4 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.08585 |
| Heavy Atoms | 25 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 357613-34-4 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O |
| InChIKey | YBFIKHDNXYQJMH-UHFFFAOYSA-N |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 357613-34-4), with molecular formula C17H12N4O4 and molecular weight 336.09 g/mol. IUPAC: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione 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 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione is 357613-34-4.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione is C17H12N4O4.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione is 336.09 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.