TL;DR: 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-chloro-, 2-(((4-bromophenyl)amino)thiocarbonyl)hydrazide (CAS 116989-67-4) is a chemical compound with molecular formula C23H16BrClN6OS and molecular weight 537.9978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)-3-[[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]thiourea
Also Known As: 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-chloro-, 2-(((4-bromophenyl)amino)thiocarbonyl)hydrazide, 1-(4-bromophenyl)-3-[[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]thiourea, N-(4-Bromophenyl)-2-[(9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]hydrazine-1-carbothioamide
| Molecular Formula | C23H16BrClN6OS |
| Molecular Weight | 537.9978 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 537.9978 Da |
| Heavy Atoms | 33 |
| Complexity | 725.0 |
| SMILES | C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Cl)N(C3=N2)CC(=O)NNC(=S)NC5=CC=C(C=C5)Br |
| InChIKey | HORCOYOXYLDOEK-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-chloro-, 2-(((4-bromophenyl)amino)thiocarbonyl)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-chloro-, 2-(((4-bromophenyl)amino)thiocarbonyl)hydrazide. Following Lipinski's Rule of Five, 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-chloro-, 2-(((4-bromophenyl)amino)thiocarbonyl)hydrazide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-chloro-, 2-(((4-bromophenyl)amino)thiocarbonyl)hydrazide is 116989-67-4.
The molecular formula of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-chloro-, 2-(((4-bromophenyl)amino)thiocarbonyl)hydrazide is C23H16BrClN6OS.
The molecular weight of 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, 9-chloro-, 2-(((4-bromophenyl)amino)thiocarbonyl)hydrazide is 537.9978 g/mol.
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