![2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/4929/492997-88-3.webp)
2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 492997-88-3) is a chemical compound with molecular formula C20H14N4O6 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylanilino)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione
Also Known As: 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-(3,4-dimethylanilino)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione, 2-[(3,4-dimethylphenyl)amino]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C20H14N4O6 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 3.89614 |
| Topological Polar Surface Area | 135.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.09134 |
| Heavy Atoms | 30 |
| Complexity | 1231.4366 |
Chemical Identifiers
| CAS Number | 492997-88-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NN2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 492997-88-3), with molecular formula C20H14N4O6 and molecular weight 406.09 g/mol. IUPAC: 2-(3,4-dimethylanilino)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 3.89614 indicates that 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione 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 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione is 492997-88-3.
What is the molecular formula of 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione is C20H14N4O6.
What is the molecular weight of 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione is 406.09 g/mol.
Where can I buy 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(3,4-dimethylanilino)-5,8-bisnitro-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-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dimethylanilino)-5,8-bisnitro-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.