TL;DR: Imidazo(2,1-b)quinazolin-5(1H)-one, 1-(4-bromophenyl)-3-(3-nitrophenyl)- (CAS 107633-91-0) is a chemical compound with molecular formula C22H13BrN4O3 and molecular weight 460.0171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)-3-(3-nitrophenyl)imidazo[2,1-b]quinazolin-5-one
Also Known As: Imidazo(2,1-b)quinazolin-5(1H)-one, 1-(4-bromophenyl)-3-(3-nitrophenyl)-, 1-(4-Bromophenyl)-3-(3-nitrophenyl)imidazo(2,1-b)quinazolin-5(1H)-one, 1-(4-bromophenyl)-3-(3-nitrophenyl)imidazo[2,1-b]quinazolin-5-one, 1-(4-Bromophenyl)-3-(3-nitrophenyl)imidazo[2,1-b]quinazolin-5(1H)-one
| Molecular Formula | C22H13BrN4O3 |
| Molecular Weight | 460.0171 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.0171 Da |
| Heavy Atoms | 30 |
| Complexity | 771.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N3C(=CN(C3=N2)C4=CC=C(C=C4)Br)C5=CC(=CC=C5)[N+](=O)[O-] |
| InChIKey | BJDRFURWURXFBY-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Imidazo(2,1-b)quinazolin-5(1H)-one, 1-(4-bromophenyl)-3-(3-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazo(2,1-b)quinazolin-5(1H)-one, 1-(4-bromophenyl)-3-(3-nitrophenyl)-. Following Lipinski's Rule of Five, Imidazo(2,1-b)quinazolin-5(1H)-one, 1-(4-bromophenyl)-3-(3-nitrophenyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Imidazo(2,1-b)quinazolin-5(1H)-one, 1-(4-bromophenyl)-3-(3-nitrophenyl)- is 107633-91-0.
The molecular formula of Imidazo(2,1-b)quinazolin-5(1H)-one, 1-(4-bromophenyl)-3-(3-nitrophenyl)- is C22H13BrN4O3.
The molecular weight of Imidazo(2,1-b)quinazolin-5(1H)-one, 1-(4-bromophenyl)-3-(3-nitrophenyl)- is 460.0171 g/mol.
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