![6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione structure](/static/products/5146/51461-22-4.webp)
6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione
TL;DR: 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione (CAS 51461-22-4) is a chemical compound with molecular formula C17H12BrN3O2 and molecular weight 369.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)benzo[de]isoquinoline-1,3-dione
Also Known As: EINECS 257-220-7, 6-Bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz(de)isoquinoline-1,3(2H)-dione, BAS 00850529, ANTHRAQUINONE,1,5-DINITRO-2-METHYL, 6-bromo-2-1h-benz[de]isoquinoline-1,3 -dione
| Molecular Formula | C17H12BrN3O2 |
|---|---|
| Molecular Weight | 369.01 g/mol |
| LogP | 3.74284 |
| Topological Polar Surface Area | 66.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 369.0113 |
| Heavy Atoms | 23 |
| Complexity | 964.73627 |
Chemical Identifiers
| CAS Number | 51461-22-4 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O |
Product Overview
6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione (CAS 51461-22-4), with molecular formula C17H12BrN3O2 and molecular weight 369.01 g/mol. IUPAC: 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione
Property Insights of 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione
The XLogP value of 3.74284 indicates that 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione 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 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione?
The CAS number of 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione is 51461-22-4.
What is the molecular formula of 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione is C17H12BrN3O2.
What is the molecular weight of 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione is 369.01 g/mol.
Where can I buy 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[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 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.