![3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione structure](/static/products/879/879447-43-5.webp)
3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
TL;DR: 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione (CAS 879447-43-5) is a chemical compound with molecular formula C22H20N4O4 and molecular weight 404.14847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-dione
Also Known As: VU0492879-1, 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione, F3225-7108, 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-dione, 3-butyl-10-methyl-2-(4-nitrophenyl)-3H,4H,5H,10H-pyrimido[4,5-b]quinoline-4,5-dione
Technical Specifications
| Molecular Formula | C22H20N4O4 |
| Molecular Weight | 404.14847 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 98.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.14847 Da |
| Heavy Atoms | 30 |
| Complexity | 791.0 |
| SMILES | CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3N2C)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | ZNKKFEQOQDLYMO-UHFFFAOYSA-N |
Chemical Property Profile of 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Property Insights of 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
The XLogP value of 3.8 indicates that 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione. Following Lipinski's Rule of Five, 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?
The CAS number of 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is 879447-43-5.
What is the molecular formula of 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?
The molecular formula of 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is C22H20N4O4.
What is the molecular weight of 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?
The molecular weight of 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is 404.14847 g/mol.
Where can I buy 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?
You can request a quote for 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?
Yes, CoreyChem provides custom synthesis services for 3-butyl-10-methyl-2-(4-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.